From e64830992db27939840bc68364de3f47441c154f Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Sun, 30 Aug 2020 12:50:38 +0530 Subject: added ketcher option --- app/static/ketcher/doc/analyse.png | Bin 0 -> 12966 bytes app/static/ketcher/doc/atom-dialog.png | Bin 0 -> 19260 bytes app/static/ketcher/doc/attpoints-dialog.png | Bin 0 -> 13627 bytes app/static/ketcher/doc/bond-dialog.png | Bin 0 -> 15257 bytes app/static/ketcher/doc/bond-types.png | Bin 0 -> 1014 bytes app/static/ketcher/doc/bond.png | Bin 0 -> 630 bytes app/static/ketcher/doc/bonds.png | Bin 0 -> 12074 bytes app/static/ketcher/doc/chain.png | Bin 0 -> 430 bytes app/static/ketcher/doc/charge.png | Bin 0 -> 1296 bytes app/static/ketcher/doc/check.png | Bin 0 -> 46113 bytes app/static/ketcher/doc/collapsed.png | Bin 0 -> 5753 bytes app/static/ketcher/doc/expanded.png | Bin 0 -> 3392 bytes app/static/ketcher/doc/generic-groups.png | Bin 0 -> 25573 bytes app/static/ketcher/doc/help.html | 686 ++ app/static/ketcher/doc/inline-edit.png | Bin 0 -> 12423 bytes app/static/ketcher/doc/main.png | Bin 0 -> 39494 bytes app/static/ketcher/doc/miew-menu.png | Bin 0 -> 24577 bytes app/static/ketcher/doc/miew.png | Bin 0 -> 16391 bytes app/static/ketcher/doc/open.png | Bin 0 -> 18168 bytes app/static/ketcher/doc/periodic-dialog-ext.png | Bin 0 -> 66289 bytes app/static/ketcher/doc/periodic-dialog.png | Bin 0 -> 50019 bytes app/static/ketcher/doc/periodic-table.png | Bin 0 -> 903 bytes app/static/ketcher/doc/reaction-types.png | Bin 0 -> 5767 bytes app/static/ketcher/doc/reaction.png | Bin 0 -> 887 bytes app/static/ketcher/doc/rgroup-dialog.png | Bin 0 -> 23340 bytes app/static/ketcher/doc/rgroup-example1.png | Bin 0 -> 4884 bytes app/static/ketcher/doc/rgroup-example2.png | Bin 0 -> 2841 bytes app/static/ketcher/doc/rgroup-example3.png | Bin 0 -> 10386 bytes app/static/ketcher/doc/rgroup-example4.png | Bin 0 -> 7539 bytes app/static/ketcher/doc/rgroup-types.png | Bin 0 -> 4720 bytes app/static/ketcher/doc/rgroup.png | Bin 0 -> 757 bytes app/static/ketcher/doc/rlogic-dialog.png | Bin 0 -> 19838 bytes app/static/ketcher/doc/rotate.png | Bin 0 -> 1061 bytes app/static/ketcher/doc/save.png | Bin 0 -> 22301 bytes app/static/ketcher/doc/sdata-dialog.png | Bin 0 -> 37752 bytes app/static/ketcher/doc/sdata.png | Bin 0 -> 995 bytes app/static/ketcher/doc/settings.png | Bin 0 -> 17527 bytes app/static/ketcher/doc/sgroup-data-dialog.png | Bin 0 -> 25991 bytes app/static/ketcher/doc/sgroup-dialog.png | Bin 0 -> 29307 bytes app/static/ketcher/doc/sgroup.png | Bin 0 -> 460 bytes app/static/ketcher/doc/template-dialog.png | Bin 0 -> 46072 bytes app/static/ketcher/doc/template-example1.png | Bin 0 -> 5240 bytes app/static/ketcher/doc/template-example2.png | Bin 0 -> 4606 bytes app/static/ketcher/doc/template-example3.png | Bin 0 -> 4210 bytes app/static/ketcher/doc/template-lib.png | Bin 0 -> 817 bytes app/static/ketcher/doc/template.png | Bin 0 -> 2667 bytes app/static/ketcher/doc/toolbar.png | Bin 0 -> 18056 bytes app/static/ketcher/doc/transform-types.png | Bin 0 -> 4616 bytes app/static/ketcher/doc/transform.png | Bin 0 -> 604 bytes app/static/ketcher/ketcher.html | 16 + app/static/ketcher/ketcher.svg | 1 + app/static/ketcher/library.sdf | 11632 +++++++++++++++++++++++ app/static/ketcher/library.svg | 1 + app/static/ketcher/logo/apple-touch-icon.png | Bin 0 -> 11817 bytes app/static/ketcher/logo/favicon-16x16.png | Bin 0 -> 600 bytes app/static/ketcher/logo/favicon-32x32.png | Bin 0 -> 1229 bytes app/static/ketcher/logo/favicon.ico | Bin 0 -> 15086 bytes app/static/ketcher/logo/ketcher-logo.svg | 1 + 58 files changed, 12337 insertions(+) create mode 100644 app/static/ketcher/doc/analyse.png create mode 100644 app/static/ketcher/doc/atom-dialog.png create mode 100644 app/static/ketcher/doc/attpoints-dialog.png create mode 100644 app/static/ketcher/doc/bond-dialog.png create mode 100644 app/static/ketcher/doc/bond-types.png create mode 100644 app/static/ketcher/doc/bond.png create mode 100644 app/static/ketcher/doc/bonds.png create mode 100644 app/static/ketcher/doc/chain.png create mode 100644 app/static/ketcher/doc/charge.png create mode 100644 app/static/ketcher/doc/check.png create mode 100644 app/static/ketcher/doc/collapsed.png create mode 100644 app/static/ketcher/doc/expanded.png create mode 100644 app/static/ketcher/doc/generic-groups.png create mode 100644 app/static/ketcher/doc/help.html create mode 100644 app/static/ketcher/doc/inline-edit.png create mode 100644 app/static/ketcher/doc/main.png create mode 100644 app/static/ketcher/doc/miew-menu.png create mode 100644 app/static/ketcher/doc/miew.png create mode 100644 app/static/ketcher/doc/open.png create mode 100644 app/static/ketcher/doc/periodic-dialog-ext.png create mode 100644 app/static/ketcher/doc/periodic-dialog.png create mode 100644 app/static/ketcher/doc/periodic-table.png create mode 100644 app/static/ketcher/doc/reaction-types.png create mode 100644 app/static/ketcher/doc/reaction.png create mode 100644 app/static/ketcher/doc/rgroup-dialog.png create mode 100644 app/static/ketcher/doc/rgroup-example1.png create mode 100644 app/static/ketcher/doc/rgroup-example2.png create mode 100644 app/static/ketcher/doc/rgroup-example3.png create mode 100644 app/static/ketcher/doc/rgroup-example4.png create mode 100644 app/static/ketcher/doc/rgroup-types.png create mode 100644 app/static/ketcher/doc/rgroup.png create mode 100644 app/static/ketcher/doc/rlogic-dialog.png create mode 100644 app/static/ketcher/doc/rotate.png create mode 100644 app/static/ketcher/doc/save.png create mode 100644 app/static/ketcher/doc/sdata-dialog.png create mode 100644 app/static/ketcher/doc/sdata.png create mode 100644 app/static/ketcher/doc/settings.png create mode 100644 app/static/ketcher/doc/sgroup-data-dialog.png create mode 100644 app/static/ketcher/doc/sgroup-dialog.png create mode 100644 app/static/ketcher/doc/sgroup.png create mode 100644 app/static/ketcher/doc/template-dialog.png create mode 100644 app/static/ketcher/doc/template-example1.png create mode 100644 app/static/ketcher/doc/template-example2.png create mode 100644 app/static/ketcher/doc/template-example3.png create mode 100644 app/static/ketcher/doc/template-lib.png create mode 100644 app/static/ketcher/doc/template.png create mode 100644 app/static/ketcher/doc/toolbar.png create mode 100644 app/static/ketcher/doc/transform-types.png create mode 100644 app/static/ketcher/doc/transform.png create mode 100644 app/static/ketcher/ketcher.html create mode 100644 app/static/ketcher/ketcher.svg create mode 100644 app/static/ketcher/library.sdf create mode 100644 app/static/ketcher/library.svg create mode 100644 app/static/ketcher/logo/apple-touch-icon.png create mode 100644 app/static/ketcher/logo/favicon-16x16.png create mode 100644 app/static/ketcher/logo/favicon-32x32.png create mode 100644 app/static/ketcher/logo/favicon.ico create mode 100644 app/static/ketcher/logo/ketcher-logo.svg (limited to 'app/static') diff --git a/app/static/ketcher/doc/analyse.png b/app/static/ketcher/doc/analyse.png new file mode 100644 index 0000000..caa9c32 Binary files /dev/null and b/app/static/ketcher/doc/analyse.png differ diff --git a/app/static/ketcher/doc/atom-dialog.png b/app/static/ketcher/doc/atom-dialog.png new file mode 100644 index 0000000..28b8fa9 Binary files /dev/null and b/app/static/ketcher/doc/atom-dialog.png differ diff --git a/app/static/ketcher/doc/attpoints-dialog.png b/app/static/ketcher/doc/attpoints-dialog.png new file mode 100644 index 0000000..96058ef Binary files /dev/null and b/app/static/ketcher/doc/attpoints-dialog.png differ diff --git a/app/static/ketcher/doc/bond-dialog.png b/app/static/ketcher/doc/bond-dialog.png new file mode 100644 index 0000000..c87a448 Binary files /dev/null and b/app/static/ketcher/doc/bond-dialog.png differ diff --git a/app/static/ketcher/doc/bond-types.png b/app/static/ketcher/doc/bond-types.png new file mode 100644 index 0000000..1241040 Binary files /dev/null and b/app/static/ketcher/doc/bond-types.png differ diff --git a/app/static/ketcher/doc/bond.png b/app/static/ketcher/doc/bond.png new file mode 100644 index 0000000..e1a168b Binary files /dev/null and b/app/static/ketcher/doc/bond.png differ diff --git a/app/static/ketcher/doc/bonds.png b/app/static/ketcher/doc/bonds.png new file mode 100644 index 0000000..b2510bb Binary files /dev/null and b/app/static/ketcher/doc/bonds.png differ diff --git a/app/static/ketcher/doc/chain.png b/app/static/ketcher/doc/chain.png new file mode 100644 index 0000000..0e3a0a8 Binary files /dev/null and b/app/static/ketcher/doc/chain.png differ diff --git a/app/static/ketcher/doc/charge.png b/app/static/ketcher/doc/charge.png new file mode 100644 index 0000000..e0bf088 Binary files /dev/null and b/app/static/ketcher/doc/charge.png differ diff --git a/app/static/ketcher/doc/check.png b/app/static/ketcher/doc/check.png new file mode 100644 index 0000000..948e1f1 Binary files /dev/null and b/app/static/ketcher/doc/check.png differ diff --git a/app/static/ketcher/doc/collapsed.png b/app/static/ketcher/doc/collapsed.png new file mode 100644 index 0000000..4715ad9 Binary files /dev/null and b/app/static/ketcher/doc/collapsed.png differ diff --git a/app/static/ketcher/doc/expanded.png b/app/static/ketcher/doc/expanded.png new file mode 100644 index 0000000..225df45 Binary files /dev/null and b/app/static/ketcher/doc/expanded.png differ diff --git a/app/static/ketcher/doc/generic-groups.png b/app/static/ketcher/doc/generic-groups.png new file mode 100644 index 0000000..be8aa9f Binary files /dev/null and b/app/static/ketcher/doc/generic-groups.png differ diff --git a/app/static/ketcher/doc/help.html b/app/static/ketcher/doc/help.html new file mode 100644 index 0000000..9f800fa --- /dev/null +++ b/app/static/ketcher/doc/help.html @@ -0,0 +1,686 @@ +

Ketcher is a tool to draw molecular structures and chemical +reactions.

+

Ketcher Overview

+

Ketcher is a tool to draw molecular structures and chemical +reactions. Ketcher operates in two modes, the Server mode with most +functions available and the client mode with limited functions +available.

+

Ketcher consists of the following elements:

+

+

Note : Depending on the screen size, some tools on the Tool +palette can be displayed in expanded or collapsed forms.

+

Using the Tool palette, you can

+ +

To select one atom or bond, click Lasso or Rectangle Selection tool, +and then click the atom or bond.

+

To select the entire structure:

+ +

To select multiple atoms, bonds, structures, or other objects, do one +of the following:

+ +

Note : Ctrl+Shift-click with the Lasso or Rectangle Selection tool +selects several structures.

+

You can use the buttons of the Main toolbar:

+

+ +

Note : Layout, Clean Up, Aromatize / Dearomatize, +Calculate CIP, Check Structure, Calculated Values, +Recognize Molecule and 3D View buttons are active only in the +Server mode.

+

3D Viewer

+

The structure appears in a modal window after clicking on the 3D +Viewer button:

+

+

You can perform the following actions:

+ +

Ketcher Settings allow to change the appearance of the structure and background coloring.

+

“Lines” drawing method, “Bright” atom name coloring +method and “Light” background coloring are default.

+

Drawing Atoms

+

To draw/edit atoms you can:

+ +

Drawing Bonds

+

To draw/edit bonds you can:

+ +

Drawing R-Groups

+

Use the R-Group toolbox to draw R-groups in Markush +structures:

+

+

Selecting the R-Group Label Tool and clicking on an atom in the +structure invokes the dialog to select the R-Group label for a current +atom position in the structure:

+

+

Selecting the R-Group label and clicking OK converts the structure +into a Markush structure with the selected R-Group label:

+

+

Note : You can choose several R-Group labels simultaneously:

+

+

Particular chemical fragments that may be substituted for a given +R-Group form a set of R-Group members. R-Group members can be any +structural fragment, including functional groups and single atoms or +atom lists.

+

To create a set of R-Group members:

+
    +
  1. +

    Draw a structure to become an R-Group member.

    +
    2. +
  2. +

    Select the structure using the R-Group Fragment Tool to invoke +the R-Group dialog; in this dialog select the label of the +R-Group to assign the fragment to.

    +
    3. +
  3. +

    Click on OK to convert the structure into an R-Group member.

    +
    4. +
+

An R-Group attachment point is the atom in an R-Group member fragment +that attaches the fragment to the initial Markush structure.

+

Selecting the Attachment Point Tool and clicking on an atom in the +R-Group fragment converts this atom into an attachment point. If the +R-Group contains more than one attachment point, you can specify one +of them as primary and the other as secondary. You can select between +either the primary or secondary attachment point using the dialog that +appears after clicking on the atom:

+

+

If there are two attachment points on an R-Group member, there must be +two corresponding attachments (bonds) to the R-Group atom that has the +same R-Group label. Clicking on OK in the above dialog creates the +attachment point.

+

Schematically, the entire process of the R-Group member creation can +be presented as:

+

+

+

R-Group Logic

+

Ketcher enables one to add logic when using R-Groups. To access +the R-Group logic:

+
    +
  1. +

    Create an R-Group member fragment as described above.

    +
    2. +
  2. +

    Move the cursor over the entire fragment for the green frame to +appear, then click inside the fragment. The following dialog +appears:

    +

    +
    3. +
  3. +

    Specify Occurrence to define how many of an R-Group +occurs. If an R-Group atom appears several times in the initial +structure, you will specify Occurrence">n", n +being the number of occurrences; if it appears once, you see +"R1 > 0".

    +
    4. +
  4. +

    Specify H at unoccupied R-Group sites ( RestH ): check or +clear the checkbox.

    +
    5. +
  5. +

    Specify the logical Condition. Use the R-Group condition If +R(i) Then to specify whether the presence of an R-Group is +dependent on the presence of another R-Group.

    +
    6. +
+

Marking S-Groups

+

To mark S-Groups, use the S-Group tool and the +following dialog that appears after selecting a fragment with this +tool:

+

+

Available S-Group types:

+

Generic

+

Generic is a pair of brackets without any labels.

+

Multiple group

+

A Multiple group indicates a number of replications of a fragment or a part of a +structure in contracted form.

+

SRU Polymer

+

The Structural Repeating Unit (SRU) brackets enclose the structural +repeating of a polymer. You have three available patterns: +head-to-tail (the default), head-to-head, and either/unknown.

+

Superatom

+

An abbreviated structure (abbreviation) is all or part of a structure +(molecule or reaction component) that has been abbreviated to a text +label. Structures that you abbreviate keep their chemical +significance, but their underlying structure is hidden. The current +version can't display contracted structures but correctly +saves/reads them into/from files.

+

Data S-Groups

+

The Data S-Groups Tool is a separate tool for +comfortable use with the accustomed set of descriptors (like Attached +Data in Marvin Editor).

+

You can attach data to an atom, a fragment, a single bond, or a +group. The defined set of Names and Values is introduced for each +type of selected elements:

+

+ +

Changing Structure Display

+

Use the Flip/Rotate tool to change the structure +display:

+

+

For the full screen format, the Flip/Rotate tool is split into +separate buttons:

+

+

Rotate Tool

+

This tool allows rotating objects.

+ +

Select any bond on the structure and click Alt+H to rotate the structure so that the selected bond is placed horizontally. +Select any bond on the structure and click Alt+V to rotate the structure so that the selected bond is placed vertically.

+

Flip Tool

+

This tool flips the objects horizontally or vertically.

+ +

Drawing Reactions

+

To draw/edit reactions you can

+ +

Note : Reaction Auto-Mapping Tool is available only in the Server +mode.

+

Templates toolbar

+

You can add templates (rings or other predefined structures) to the +structure using the Templates toolbar together with the Custom +Templates button located at the bottom:

+

+

To add a ring to the molecule, select a ring from the toolbar and +click inside the drawing area, or click on an atom or a bond in the +molecule.

+

Rules of using templates:

+ +

Note : The added template will be fused by the default attachment +atom or bond preset in the program.

+

Note : User is able to define the attachment atom and bond by clicking +the Edit button for template structure.

+

The Custom Templates button invokes the scrolling +list of templates available in the program; both built-in and created +by user:

+

+

To create a user template:

+ +

Working with Files

+

Ketcher supports the following molecular formats that can be entered +either manually or from files:

+ +

You can use the Open… and Save As… buttons of the Main +toolbar to import a molecule from a molecular file or save it to a +supported molecular file format. The Open Structure dialog enables +one to either browse for a file (Server mode) or manually input, e.g., +the Molfile ctable for the molecule to be imported:

+

+

The Save Structure dialog enables one to save the molecular file:

+

+

Note : In the standalone version only mol/rxn are supported for +Open and mol/rxn/SMILES for Save.

+

Hotkeys

+

You can use keyboard hotkeys (including Numeric keypad) for some +features/commands of the Editor. To display the hotkeys just place the +cursor over a toolbar button. If a hotkey is available for the button, +it will appear in brackets after the description of the button.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
KeyAction
EscSwitching between the Lasso/Rectangle/Fragment Selection tools
DelDelete the selected objects
0Draw Any bond.
1Single / Single Up / Single Down / Single Up/Down bond. Consecutive pressing switches between these types.
2Double / Double Cis/Trans bond
3Draw a triple bond.
4Draw an aromatic bond.
5Charge Plus/Charge Minus
ADraw any atom
HDraw a hydrogen
CDraw a carbon
NDraw a nitrogen
ODraw an oxygen
SDraw a sulfur
FDraw a fluorine
PDraw a phosphorus
IDraw an iodine
TBasic templates. Consecutive pressing switches between different templates
Shift+tOpen template library
Alt+rRotate tool
Alt+vFlip vertically
Alt+hFlip horizontally
Ctrl+gS-Group tool / Data S-Group tool
Ctrl+dAlign and select all S-Group data
Ctrl+rSwitching between the R-Group Label Tool/R-Group Fragment Tool/Attachment Point Tool
Ctrl+Shift+rR-Group Fragment Tool
Ctrl+DelClear canvas
Ctrl+oOpen
Ctrl+sSave As
Ctrl+zUndo
Ctrl+Shift+zRedo
Ctrl+xCut selected objects
Ctrl+cCopy selected objects
Ctrl+vPaste selected objects
+Zoom In
-Zoom Out
Ctrl+lLayout
Ctrl+Shift+lClean Up
Ctrl+pCalculate CIP
?Help
+

Note : Please, use Ctrl+V to paste the selected object in +Google Chrome and Mozilla Firefox browsers.

+

Note 2 : Probably, you have forbidden access to the local storage. +If you are using IE10 or IE11 and didn’t forbid access to local storage +intentionally, you can pay attention here: https://stackoverflow.com/a/20848924

diff --git a/app/static/ketcher/doc/inline-edit.png b/app/static/ketcher/doc/inline-edit.png new file mode 100644 index 0000000..072d4d9 Binary files /dev/null and b/app/static/ketcher/doc/inline-edit.png differ diff --git a/app/static/ketcher/doc/main.png b/app/static/ketcher/doc/main.png new file mode 100644 index 0000000..2c579ce Binary files /dev/null and b/app/static/ketcher/doc/main.png differ diff --git a/app/static/ketcher/doc/miew-menu.png b/app/static/ketcher/doc/miew-menu.png new file mode 100644 index 0000000..e1312f7 Binary files /dev/null and b/app/static/ketcher/doc/miew-menu.png differ diff --git a/app/static/ketcher/doc/miew.png b/app/static/ketcher/doc/miew.png new file mode 100644 index 0000000..de9e6bb Binary files /dev/null and b/app/static/ketcher/doc/miew.png differ diff --git a/app/static/ketcher/doc/open.png b/app/static/ketcher/doc/open.png new file mode 100644 index 0000000..38f7e20 Binary files /dev/null and b/app/static/ketcher/doc/open.png differ diff --git a/app/static/ketcher/doc/periodic-dialog-ext.png b/app/static/ketcher/doc/periodic-dialog-ext.png new file mode 100644 index 0000000..c674ebc Binary files /dev/null and b/app/static/ketcher/doc/periodic-dialog-ext.png differ diff --git a/app/static/ketcher/doc/periodic-dialog.png b/app/static/ketcher/doc/periodic-dialog.png new file mode 100644 index 0000000..bd26862 Binary files /dev/null and b/app/static/ketcher/doc/periodic-dialog.png differ diff --git a/app/static/ketcher/doc/periodic-table.png b/app/static/ketcher/doc/periodic-table.png new file mode 100644 index 0000000..1233943 Binary files /dev/null and b/app/static/ketcher/doc/periodic-table.png differ diff --git a/app/static/ketcher/doc/reaction-types.png b/app/static/ketcher/doc/reaction-types.png new file mode 100644 index 0000000..ba2b5e6 Binary files /dev/null and b/app/static/ketcher/doc/reaction-types.png differ diff --git a/app/static/ketcher/doc/reaction.png b/app/static/ketcher/doc/reaction.png new file mode 100644 index 0000000..e4dfa04 Binary files /dev/null and b/app/static/ketcher/doc/reaction.png differ diff --git a/app/static/ketcher/doc/rgroup-dialog.png b/app/static/ketcher/doc/rgroup-dialog.png new file mode 100644 index 0000000..6320dc4 Binary files /dev/null and b/app/static/ketcher/doc/rgroup-dialog.png differ diff --git a/app/static/ketcher/doc/rgroup-example1.png b/app/static/ketcher/doc/rgroup-example1.png new file mode 100644 index 0000000..829f2d2 Binary files /dev/null and b/app/static/ketcher/doc/rgroup-example1.png differ diff --git a/app/static/ketcher/doc/rgroup-example2.png b/app/static/ketcher/doc/rgroup-example2.png new file mode 100644 index 0000000..39a475e Binary files /dev/null and b/app/static/ketcher/doc/rgroup-example2.png differ diff --git a/app/static/ketcher/doc/rgroup-example3.png b/app/static/ketcher/doc/rgroup-example3.png new file mode 100644 index 0000000..8f91b31 Binary files /dev/null and b/app/static/ketcher/doc/rgroup-example3.png differ diff --git a/app/static/ketcher/doc/rgroup-example4.png b/app/static/ketcher/doc/rgroup-example4.png new file mode 100644 index 0000000..f974ebc Binary files /dev/null and b/app/static/ketcher/doc/rgroup-example4.png differ diff --git a/app/static/ketcher/doc/rgroup-types.png b/app/static/ketcher/doc/rgroup-types.png new file mode 100644 index 0000000..107d52f Binary files /dev/null and b/app/static/ketcher/doc/rgroup-types.png differ diff --git a/app/static/ketcher/doc/rgroup.png b/app/static/ketcher/doc/rgroup.png new file mode 100644 index 0000000..8bc2ae2 Binary files /dev/null and b/app/static/ketcher/doc/rgroup.png differ diff --git a/app/static/ketcher/doc/rlogic-dialog.png b/app/static/ketcher/doc/rlogic-dialog.png new file mode 100644 index 0000000..f11b0d8 Binary files /dev/null and b/app/static/ketcher/doc/rlogic-dialog.png differ diff --git a/app/static/ketcher/doc/rotate.png b/app/static/ketcher/doc/rotate.png new file mode 100644 index 0000000..08ab1f1 Binary files /dev/null and b/app/static/ketcher/doc/rotate.png differ diff --git a/app/static/ketcher/doc/save.png b/app/static/ketcher/doc/save.png new file mode 100644 index 0000000..c98f56e Binary files /dev/null and b/app/static/ketcher/doc/save.png differ diff --git a/app/static/ketcher/doc/sdata-dialog.png b/app/static/ketcher/doc/sdata-dialog.png new file mode 100644 index 0000000..a97dbce Binary files /dev/null and b/app/static/ketcher/doc/sdata-dialog.png differ diff --git a/app/static/ketcher/doc/sdata.png b/app/static/ketcher/doc/sdata.png new file mode 100644 index 0000000..07f77d7 Binary files /dev/null and b/app/static/ketcher/doc/sdata.png differ diff --git a/app/static/ketcher/doc/settings.png b/app/static/ketcher/doc/settings.png new file mode 100644 index 0000000..9f847b3 Binary files /dev/null and b/app/static/ketcher/doc/settings.png differ diff --git a/app/static/ketcher/doc/sgroup-data-dialog.png b/app/static/ketcher/doc/sgroup-data-dialog.png new file mode 100644 index 0000000..bd34ec8 Binary files /dev/null and b/app/static/ketcher/doc/sgroup-data-dialog.png differ diff --git a/app/static/ketcher/doc/sgroup-dialog.png b/app/static/ketcher/doc/sgroup-dialog.png new file mode 100644 index 0000000..4ae3756 Binary files /dev/null and b/app/static/ketcher/doc/sgroup-dialog.png differ diff --git a/app/static/ketcher/doc/sgroup.png b/app/static/ketcher/doc/sgroup.png new file mode 100644 index 0000000..6b449c0 Binary files /dev/null and b/app/static/ketcher/doc/sgroup.png differ diff --git a/app/static/ketcher/doc/template-dialog.png b/app/static/ketcher/doc/template-dialog.png new file mode 100644 index 0000000..b4e34da Binary files /dev/null and b/app/static/ketcher/doc/template-dialog.png differ diff --git a/app/static/ketcher/doc/template-example1.png b/app/static/ketcher/doc/template-example1.png new file mode 100644 index 0000000..f3b3ff4 Binary files /dev/null and b/app/static/ketcher/doc/template-example1.png differ diff --git a/app/static/ketcher/doc/template-example2.png b/app/static/ketcher/doc/template-example2.png new file mode 100644 index 0000000..c7ee526 Binary files /dev/null and b/app/static/ketcher/doc/template-example2.png differ diff --git a/app/static/ketcher/doc/template-example3.png b/app/static/ketcher/doc/template-example3.png new file mode 100644 index 0000000..2f11d63 Binary files /dev/null and b/app/static/ketcher/doc/template-example3.png differ diff --git a/app/static/ketcher/doc/template-lib.png b/app/static/ketcher/doc/template-lib.png new file mode 100644 index 0000000..47e1329 Binary files /dev/null and b/app/static/ketcher/doc/template-lib.png differ diff --git a/app/static/ketcher/doc/template.png b/app/static/ketcher/doc/template.png new file mode 100644 index 0000000..feee2c3 Binary files /dev/null and b/app/static/ketcher/doc/template.png differ diff --git a/app/static/ketcher/doc/toolbar.png b/app/static/ketcher/doc/toolbar.png new file mode 100644 index 0000000..86c6a2d Binary files /dev/null and b/app/static/ketcher/doc/toolbar.png differ diff --git a/app/static/ketcher/doc/transform-types.png b/app/static/ketcher/doc/transform-types.png new file mode 100644 index 0000000..ca1a974 Binary files /dev/null and b/app/static/ketcher/doc/transform-types.png differ diff --git a/app/static/ketcher/doc/transform.png b/app/static/ketcher/doc/transform.png new file mode 100644 index 0000000..7dec6ba Binary files /dev/null and b/app/static/ketcher/doc/transform.png differ diff --git a/app/static/ketcher/ketcher.html b/app/static/ketcher/ketcher.html new file mode 100644 index 0000000..1a62005 --- /dev/null +++ b/app/static/ketcher/ketcher.html @@ -0,0 +1,16 @@ + + + + + + Curie Web | Ketcher + + + + + + + + \ No newline at end of file diff --git a/app/static/ketcher/ketcher.svg b/app/static/ketcher/ketcher.svg new file mode 100644 index 0000000..6bb47a5 --- /dev/null +++ b/app/static/ketcher/ketcher.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/app/static/ketcher/library.sdf b/app/static/ketcher/library.sdf new file mode 100644 index 0000000..47df7da --- /dev/null +++ b/app/static/ketcher/library.sdf @@ -0,0 +1,11632 @@ +alpha-D-Allopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.4110 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4110 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2304 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0499 1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2360 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.8478 2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3208 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3208 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2360 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1456 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1456 3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0499 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 6 0 0 + 9 3 1 6 0 0 + 10 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl1 + +> +0 + +> +0 + +$$$$ +alpha-D-Altropyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 1 0 0 + 9 3 1 6 0 0 + 10 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl2 + +> +0 + +> +0 + +$$$$ +alpha-D-Arabinofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -1.9332 3.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5926 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7765 1.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7048 3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0588 2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8825 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1801 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1909 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5142 2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4573 3.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 1 0 0 + 8 3 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl3 + +> +0 + +> +0 + +$$$$ +alpha-D-Arabinopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5 10 1 0 0 0 + 10 9 1 0 0 0 + 9 8 1 0 0 0 + 8 7 1 0 0 0 + 7 6 1 0 0 0 + 6 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 1 0 0 + 8 3 1 6 0 0 + 9 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl4 + +$$$$ +alpha-D-Erythrofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 1 0 999 V2000 + -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8 4 1 0 0 0 + 8 7 1 0 0 0 + 4 5 1 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 1 1 6 0 0 + 6 2 1 6 0 0 + 7 3 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl5 + +> +0 + +> +0 + +$$$$ +alpha-D-Galactopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 6 0 0 + 9 3 1 1 0 0 + 10 4 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl6 + +$$$$ +alpha-D-Glucopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 6 0 0 + 9 3 1 1 0 0 + 10 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl7 + +$$$$ +alpha-D-Gulopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 6 0 0 + 9 3 1 6 0 0 + 10 4 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl8 + +$$$$ +alpha-D-Idopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 1 0 0 + 9 3 1 6 0 0 + 10 4 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl9 + +$$$$ +alpha-D-Lyxofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 1 0 0 + 8 3 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl10 + +$$$$ +alpha-D-Lyxopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 1 0 0 + 8 3 1 1 0 0 + 9 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl11 + +$$$$ +alpha-D-Mannopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 1 0 0 + 9 3 1 1 0 0 + 10 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl12 + +$$$$ +alpha-D-Psicofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + 15.0740 -8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3759 -8.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7463 -10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5700 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6353 -7.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2665 -9.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1656 -7.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4589 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1574 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1460 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8298 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8731 -8.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 1 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 6 0 0 + 9 3 1 6 0 0 + 8 2 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl13 + +> +1 + +> +0 + +$$$$ +alpha-D-Ribofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 6 0 0 + 8 3 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl14 + +$$$$ +alpha-D-Ribopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 6 0 0 + 8 3 1 6 0 0 + 9 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl15 + +$$$$ +alpha-D-Sorbofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 0 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 1 0 0 + 9 3 1 6 0 0 + 8 2 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl16 + +> +1 + +> +0 + +$$$$ +alpha-D-Tagatofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 0 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 1 0 0 + 9 3 1 1 0 0 + 8 2 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl17 + +> +1 + +> +0 + +$$$$ +alpha-D-Talopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 6 0 0 + 8 2 1 1 0 0 + 9 3 1 1 0 0 + 10 4 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl18 + +> +0 + +> +0 + +$$$$ +alpha-D-Threofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 1 0 999 V2000 + -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8 4 1 0 0 0 + 8 7 1 0 0 0 + 4 5 1 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 1 1 6 0 0 + 6 2 1 1 0 0 + 7 3 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl19 + +$$$$ +alpha-D-Xylofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 6 0 0 + 8 3 1 1 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl20 + +$$$$ +alpha-D-Xylopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5 10 1 0 0 0 + 10 9 1 0 0 0 + 9 8 1 0 0 0 + 8 7 1 0 0 0 + 7 6 1 0 0 0 + 6 5 1 0 0 0 + 6 1 1 6 0 0 + 7 2 1 6 0 0 + 8 3 1 1 0 0 + 9 4 1 6 0 0 +M END +> +alpha-D-Sugars + +> +library.svg#tmpl21 + +$$$$ +Cyclopenta-1,3-diene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 9.6696 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6696 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4243 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1804 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1804 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 1 5 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl22 + +> +2 + +> +1 + +$$$$ +1H-indene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 7.1899 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1899 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0555 -5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9228 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9228 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0555 -3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8731 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4601 -4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8731 -3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 6 1 0 0 0 + 1 6 2 0 0 0 + 4 7 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 5 9 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl23 + +> +6 + +> +7 + +$$$$ +Naphtalene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 11.0090 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1429 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1429 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0090 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8751 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8751 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7410 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7410 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6071 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6071 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 6 2 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 8 1 0 0 0 + 7 10 2 0 0 0 + 8 9 2 0 0 0 + 9 10 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl24 + +> +6 + +> +10 + +$$$$ +Azulene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 12.4941 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2759 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4941 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5192 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0853 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5192 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2270 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2759 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2270 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8147 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 8 2 0 0 0 + 1 6 1 0 0 0 + 2 3 1 0 0 0 + 3 4 2 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 7 2 2 0 0 0 + 7 10 1 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 2 8 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl25 + +> +4 + +> +4 + +$$$$ +E-Stilbene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 15 0 0 0 999 V2000 + 10.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3250 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 6 2 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 14 9 1 0 0 0 + 10 9 2 0 0 0 + 10 11 1 0 0 0 + 11 12 2 0 0 0 + 12 13 1 0 0 0 + 13 14 2 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl26 + +> +2 + +> +3 + +$$$$ +Z-Stilbene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 15 0 0 0 999 V2000 + 12.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 6 2 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 6 1 0 0 0 + 1 7 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 9 14 2 0 0 0 + 10 11 2 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl27 + +> +3 + +> +3 + +$$$$ +Anthracene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 16 0 0 0 999 V2000 + 8.0930 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2269 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2269 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0930 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9591 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9591 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8250 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6911 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6911 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5571 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5571 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4231 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4231 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 6 2 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 8 1 0 0 0 + 7 10 2 0 0 0 + 8 9 2 0 0 0 + 11 10 1 0 0 0 + 9 10 1 0 0 0 + 9 12 1 0 0 0 + 11 14 2 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl28 + +> +10 + +> +15 + +$$$$ +Phenantrene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 16 0 0 0 999 V2000 + 10.7760 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9099 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9099 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7760 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6420 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6420 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5080 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5080 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3740 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3740 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5080 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3740 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2401 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2401 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 6 2 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 8 1 0 0 0 + 7 10 2 0 0 0 + 9 10 1 0 0 0 + 8 11 2 0 0 0 + 8 9 1 0 0 0 + 9 14 2 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl29 + +> +0 + +> +0 + +$$$$ +Pyrene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 16 19 0 0 0 999 V2000 + 13.2084 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2084 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0732 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9399 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9399 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0732 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0732 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9399 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8066 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8066 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3434 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3434 -4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2084 -4.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2065 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0732 -6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9399 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 6 1 0 0 0 + 3 7 2 0 0 0 + 7 8 1 0 0 0 + 8 9 2 0 0 0 + 9 10 1 0 0 0 + 4 10 2 0 0 0 + 2 11 1 0 0 0 + 11 12 2 0 0 0 + 12 13 1 0 0 0 + 7 13 1 0 0 0 + 13 14 2 0 0 0 + 14 15 1 0 0 0 + 15 16 2 0 0 0 + 8 16 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl30 + +> +10 + +> +12 + +$$$$ +Triphenylene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 21 0 0 0 999 V2000 + 10.5140 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5140 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3807 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2474 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2474 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3807 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6491 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7859 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7859 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6491 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1141 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1141 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2474 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3807 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3807 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2474 -6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1141 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1141 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 2 3 1 0 0 0 + 3 4 2 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 6 1 0 0 0 + 1 7 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 2 10 1 0 0 0 + 5 11 1 0 0 0 + 11 12 2 0 0 0 + 12 13 1 0 0 0 + 13 14 2 0 0 0 + 6 14 1 0 0 0 + 3 15 1 0 0 0 + 15 16 2 0 0 0 + 16 17 1 0 0 0 + 17 18 2 0 0 0 + 4 18 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl31 + +> +7 + +> +8 + +$$$$ +Triptycene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 20 24 0 0 0 999 V2000 + 9.9580 -4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9460 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4637 -3.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5123 -3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9580 -2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5123 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3265 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8129 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5262 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3987 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9317 -4.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3151 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4284 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6530 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1683 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0407 -4.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5412 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7350 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4524 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7528 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 1 5 1 0 0 0 + 5 6 2 0 0 0 + 4 6 1 0 0 0 + 4 7 1 0 0 0 + 1 8 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 + 11 12 2 0 0 0 + 7 12 1 0 0 0 + 3 13 1 0 0 0 + 13 14 2 0 0 0 + 14 15 1 0 0 0 + 15 16 2 0 0 0 + 2 16 1 0 0 0 + 5 17 1 0 0 0 + 17 18 2 0 0 0 + 18 19 1 0 0 0 + 19 20 2 0 0 0 + 6 20 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl32 + +> +18 + +> +21 + +$$$$ +14-Annulene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 14 0 0 0 999 V2000 + 12.0122 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1483 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1861 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8762 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8762 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3221 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3221 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1861 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9139 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7779 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7779 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1861 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0500 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9139 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 5 2 0 0 0 + 2 3 2 0 0 0 + 4 5 1 0 0 0 + 3 6 1 0 0 0 + 6 7 2 0 0 0 + 7 8 1 0 0 0 + 4 11 2 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 + 14 9 1 0 0 0 + 8 12 2 0 0 0 + 12 13 1 0 0 0 + 13 14 2 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl33 + +> +0 + +> +0 + +$$$$ +18-Annulene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 9.2590 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3930 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3930 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1250 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9910 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8570 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8570 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8570 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7230 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7230 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5270 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5270 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3930 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3930 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2590 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1250 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9910 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8570 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 1 4 1 0 0 0 + 2 3 1 0 0 0 + 5 4 2 0 0 0 + 5 7 1 0 0 0 + 6 7 2 0 0 0 + 6 10 1 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 3 11 2 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 + 14 15 2 0 0 0 + 15 16 1 0 0 0 + 16 17 2 0 0 0 + 18 8 2 0 0 0 + 17 18 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl34 + +> +0 + +> +0 + +$$$$ +Porphyrin + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 24 28 0 0 0 999 V2000 + 6.4862 -8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1697 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0926 -8.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9419 -7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9418 -7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1979 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4907 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9262 -6.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8876 -5.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0931 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4706 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4476 -5.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7641 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8408 -4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0279 -5.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9564 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9807 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8077 -9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4794 -8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0074 -7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0106 -7.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8407 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9886 -9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4636 -6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 2 3 1 0 0 0 + 3 4 2 0 0 0 + 4 5 1 0 0 0 + 1 5 1 0 0 0 + 5 11 2 0 0 0 + 3 23 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 10 2 0 0 0 + 10 17 1 0 0 0 + 8 11 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 15 16 2 0 0 0 + 12 16 1 0 0 0 + 16 24 1 0 0 0 + 14 17 2 0 0 0 + 18 19 2 0 0 0 + 19 20 1 0 0 0 + 20 21 1 0 0 0 + 21 22 1 0 0 0 + 18 22 1 0 0 0 + 22 23 2 0 0 0 + 20 24 2 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl35 + +> +10 + +> +0 + +$$$$ +Phthalocyanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 40 48 0 0 0 999 V2000 + 13.9159 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8818 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5888 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3301 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3641 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9102 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3641 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9102 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3641 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3301 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5888 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8818 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9159 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6571 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7660 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9224 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8750 -9.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9840 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0929 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8341 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8682 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1612 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4199 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3859 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8398 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8276 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3859 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8398 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3859 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4199 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1612 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8682 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8341 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0929 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9840 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8276 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8750 -4.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7660 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9224 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6571 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 2 3 1 0 0 0 + 3 4 2 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 2 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 + 11 12 2 0 0 0 + 12 13 1 0 0 0 + 13 14 2 0 0 0 + 9 14 1 0 0 0 + 14 15 1 0 0 0 + 15 16 1 0 0 0 + 8 16 2 0 0 0 + 15 17 2 0 0 0 + 17 18 1 0 0 0 + 18 19 2 0 0 0 + 19 20 1 0 0 0 + 20 21 2 0 0 0 + 21 22 1 0 0 0 + 22 23 2 0 0 0 + 23 24 1 0 0 0 + 19 24 1 0 0 0 + 24 25 2 0 0 0 + 25 26 1 0 0 0 + 18 26 1 0 0 0 + 25 27 1 0 0 0 + 27 28 2 0 0 0 + 28 29 1 0 0 0 + 29 30 2 0 0 0 + 30 31 1 0 0 0 + 31 32 2 0 0 0 + 32 33 1 0 0 0 + 33 34 2 0 0 0 + 29 34 1 0 0 0 + 34 35 1 0 0 0 + 35 36 2 0 0 0 + 28 36 1 0 0 0 + 35 37 1 0 0 0 + 37 38 2 0 0 0 + 38 39 1 0 0 0 + 6 39 1 0 0 0 + 38 40 1 0 0 0 + 1 40 1 0 0 0 + 5 40 2 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl36 + +> +1 + +> +1 + +$$$$ +C60 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 60 90 0 0 0 999 V2000 + 10.6305 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4365 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8444 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4219 -5.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5101 -5.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5398 -3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6243 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6091 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2501 -2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0714 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6279 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2354 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7973 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4171 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9548 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1712 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7491 -4.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3544 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8607 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0881 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1915 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6908 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7895 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5564 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2017 -6.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0400 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6031 -6.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3296 -5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6757 -4.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1284 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5026 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7601 -5.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6003 -5.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1810 -6.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8290 -5.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0080 -7.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3450 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7432 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1088 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8830 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6700 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0651 -5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2290 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4556 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6990 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8777 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8635 -4.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4704 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0974 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2911 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1183 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6963 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5507 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9700 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2594 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4391 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0504 -5.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2122 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9459 -4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6724 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 1 3 1 0 0 0 + 1 12 1 0 0 0 + 2 4 1 0 0 0 + 2 6 1 0 0 0 + 3 11 2 0 0 0 + 3 35 1 0 0 0 + 4 5 2 0 0 0 + 4 33 1 0 0 0 + 5 8 1 0 0 0 + 5 38 1 0 0 0 + 6 7 2 0 0 0 + 6 13 1 0 0 0 + 7 8 1 0 0 0 + 7 54 1 0 0 0 + 8 59 2 0 0 0 + 9 10 2 0 0 0 + 9 11 1 0 0 0 + 9 20 1 0 0 0 + 10 12 1 0 0 0 + 10 14 1 0 0 0 + 11 19 1 0 0 0 + 12 13 2 0 0 0 + 13 16 1 0 0 0 + 14 15 2 0 0 0 + 14 21 1 0 0 0 + 15 16 1 0 0 0 + 15 50 1 0 0 0 + 16 55 2 0 0 0 + 17 18 1 0 0 0 + 17 19 2 0 0 0 + 17 28 1 0 0 0 + 18 20 2 0 0 0 + 18 22 1 0 0 0 + 19 27 1 0 0 0 + 20 21 1 0 0 0 + 21 24 2 0 0 0 + 22 23 2 0 0 0 + 22 29 1 0 0 0 + 23 24 1 0 0 0 + 23 46 1 0 0 0 + 24 51 1 0 0 0 + 25 26 1 0 0 0 + 25 27 2 0 0 0 + 25 36 1 0 0 0 + 26 28 2 0 0 0 + 26 30 1 0 0 0 + 27 35 1 0 0 0 + 28 29 1 0 0 0 + 29 32 2 0 0 0 + 30 31 2 0 0 0 + 30 37 1 0 0 0 + 31 32 1 0 0 0 + 31 42 1 0 0 0 + 32 47 1 0 0 0 + 33 34 1 0 0 0 + 33 35 2 0 0 0 + 34 36 2 0 0 0 + 34 38 1 0 0 0 + 36 37 1 0 0 0 + 37 40 2 0 0 0 + 38 39 2 0 0 0 + 39 40 1 0 0 0 + 39 58 1 0 0 0 + 40 43 1 0 0 0 + 41 42 1 0 0 0 + 41 44 2 0 0 0 + 41 47 1 0 0 0 + 42 43 2 0 0 0 + 43 57 1 0 0 0 + 44 48 1 0 0 0 + 44 60 1 0 0 0 + 45 46 1 0 0 0 + 45 48 2 0 0 0 + 45 51 1 0 0 0 + 46 47 2 0 0 0 + 48 52 1 0 0 0 + 49 50 1 0 0 0 + 49 52 2 0 0 0 + 49 55 1 0 0 0 + 50 51 2 0 0 0 + 52 56 1 0 0 0 + 53 54 2 0 0 0 + 53 56 1 0 0 0 + 53 59 1 0 0 0 + 54 55 1 0 0 0 + 56 60 2 0 0 0 + 57 58 2 0 0 0 + 57 60 1 0 0 0 + 58 59 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl37 + +$$$$ +C80 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 80120 0 0 0 999 V2000 + 11.8140 -5.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5730 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3980 -3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3673 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8724 -5.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8224 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6539 -5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4150 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9660 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7771 -1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0084 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3368 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7715 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5128 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3575 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1355 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8558 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6671 -4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4256 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1773 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0790 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2783 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7476 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7551 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3396 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9755 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7881 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0200 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5229 -1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3638 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1415 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7930 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6051 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0017 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6029 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2792 -3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3934 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8243 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5823 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0719 -3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3761 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5941 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4269 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8338 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0674 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5676 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3874 -3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7983 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7257 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1077 -6.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8850 -5.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4555 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4785 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8925 -4.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7361 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1144 -5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9102 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4615 -6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2725 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2295 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1717 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5034 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9729 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4956 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2845 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2423 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4737 -4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9139 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4340 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8516 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6760 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8824 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1818 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8621 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6814 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4502 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6453 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6473 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2489 -4.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9708 -3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 1 5 1 0 0 0 + 1 48 1 0 0 0 + 2 3 1 0 0 0 + 2 4 1 0 0 0 + 3 11 2 0 0 0 + 3 47 1 0 0 0 + 4 8 2 0 0 0 + 4 9 1 0 0 0 + 5 7 2 0 0 0 + 5 59 1 0 0 0 + 6 7 1 0 0 0 + 6 17 2 0 0 0 + 6 60 1 0 0 0 + 7 8 1 0 0 0 + 8 19 1 0 0 0 + 9 10 2 0 0 0 + 9 13 1 0 0 0 + 10 11 1 0 0 0 + 10 12 1 0 0 0 + 11 23 1 0 0 0 + 12 16 2 0 0 0 + 12 21 1 0 0 0 + 13 15 2 0 0 0 + 13 19 1 0 0 0 + 14 15 1 0 0 0 + 14 20 2 0 0 0 + 14 29 1 0 0 0 + 15 16 1 0 0 0 + 16 31 1 0 0 0 + 17 18 1 0 0 0 + 17 77 1 0 0 0 + 18 19 2 0 0 0 + 18 20 1 0 0 0 + 20 80 1 0 0 0 + 21 22 2 0 0 0 + 21 25 1 0 0 0 + 22 23 1 0 0 0 + 22 24 1 0 0 0 + 23 35 2 0 0 0 + 24 28 2 0 0 0 + 24 33 1 0 0 0 + 25 27 1 0 0 0 + 25 31 2 0 0 0 + 26 27 2 0 0 0 + 26 32 1 0 0 0 + 26 41 1 0 0 0 + 27 28 1 0 0 0 + 28 43 1 0 0 0 + 29 30 2 0 0 0 + 29 73 1 0 0 0 + 30 31 1 0 0 0 + 30 32 1 0 0 0 + 32 76 2 0 0 0 + 33 34 2 0 0 0 + 33 37 1 0 0 0 + 34 35 1 0 0 0 + 34 36 1 0 0 0 + 35 47 1 0 0 0 + 36 40 1 0 0 0 + 36 45 2 0 0 0 + 37 39 2 0 0 0 + 37 43 1 0 0 0 + 38 39 1 0 0 0 + 38 44 2 0 0 0 + 38 53 1 0 0 0 + 39 40 1 0 0 0 + 40 55 2 0 0 0 + 41 42 1 0 0 0 + 41 69 2 0 0 0 + 42 43 2 0 0 0 + 42 44 1 0 0 0 + 44 72 1 0 0 0 + 45 46 1 0 0 0 + 45 49 1 0 0 0 + 46 47 2 0 0 0 + 46 48 1 0 0 0 + 48 52 2 0 0 0 + 49 51 2 0 0 0 + 49 55 1 0 0 0 + 50 51 1 0 0 0 + 50 56 1 0 0 0 + 50 57 2 0 0 0 + 51 52 1 0 0 0 + 52 59 1 0 0 0 + 53 54 2 0 0 0 + 53 65 1 0 0 0 + 54 55 1 0 0 0 + 54 56 1 0 0 0 + 56 68 2 0 0 0 + 57 58 1 0 0 0 + 57 61 1 0 0 0 + 58 59 2 0 0 0 + 58 60 1 0 0 0 + 60 64 2 0 0 0 + 61 63 2 0 0 0 + 61 68 1 0 0 0 + 62 63 1 0 0 0 + 62 66 1 0 0 0 + 62 78 2 0 0 0 + 63 64 1 0 0 0 + 64 77 1 0 0 0 + 65 67 2 0 0 0 + 65 72 1 0 0 0 + 66 67 1 0 0 0 + 66 70 2 0 0 0 + 67 68 1 0 0 0 + 69 71 1 0 0 0 + 69 76 1 0 0 0 + 70 71 1 0 0 0 + 70 74 1 0 0 0 + 71 72 2 0 0 0 + 73 75 1 0 0 0 + 73 80 2 0 0 0 + 74 75 2 0 0 0 + 74 78 1 0 0 0 + 75 76 1 0 0 0 + 77 79 2 0 0 0 + 78 79 1 0 0 0 + 79 80 1 0 0 0 +M END +> +Aromatics + +> +library.svg#tmpl38 + +$$$$ +beta-D-Allopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.8119 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8119 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1792 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5466 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1834 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1462 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4956 2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4956 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1834 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5466 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 6 0 0 + 9 3 1 6 0 0 + 10 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl39 + +> +0 + +> +0 + +$$$$ +beta-D-Altropyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 1 0 0 + 9 3 1 6 0 0 + 10 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl40 + +> +0 + +> +0 + +$$$$ +beta-D-Arabinofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -1.4482 2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9421 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5781 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7753 2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5387 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1593 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3822 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1394 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3816 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0881 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 1 0 0 + 8 3 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl41 + +> +0 + +> +0 + +$$$$ +beta-D-Arabinopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5 10 1 0 0 0 + 10 9 1 0 0 0 + 9 8 1 0 0 0 + 8 7 1 0 0 0 + 7 6 1 0 0 0 + 6 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 1 0 0 + 8 3 1 6 0 0 + 9 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl42 + +> +0 + +> +0 + +$$$$ +beta-D-Erythrofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 1 0 999 V2000 + -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8 4 1 0 0 0 + 8 7 1 0 0 0 + 4 5 1 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 1 1 1 0 0 + 6 2 1 6 0 0 + 7 3 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl43 + +> +0 + +> +0 + +$$$$ +beta-D-Fructofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.6256 2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1524 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6198 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2536 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4559 2.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2256 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3100 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8350 2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0608 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8182 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0592 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7755 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 0 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 6 0 0 + 9 3 1 1 0 0 + 8 2 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl44 + +> +1 + +> +0 + +$$$$ +beta-D-Galactopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 6 0 0 + 9 3 1 1 0 0 + 10 4 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl45 + +> +0 + +> +0 + +$$$$ +beta-D-Glucopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 6 0 0 + 9 3 1 1 0 0 + 10 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl46 + +> +0 + +> +0 + +$$$$ +beta-D-Gulopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 6 0 0 + 9 3 1 6 0 0 + 10 4 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl47 + +> +0 + +> +0 + +$$$$ +beta-D-Idopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 1 0 0 + 9 3 1 6 0 0 + 10 4 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl48 + +> +0 + +> +0 + +$$$$ +beta-D-Lyxofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 1 0 0 + 8 3 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl49 + +> +0 + +> +0 + +$$$$ +beta-D-Lyxopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 1 0 0 + 8 3 1 1 0 0 + 9 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl50 + +> +0 + +> +0 + +$$$$ +beta-D-Mannopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 1 0 0 + 9 3 1 1 0 0 + 10 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl51 + +> +0 + +> +0 + +$$$$ +beta-D-Psicofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + 14.8241 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1260 -7.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4964 -9.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3201 -9.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3854 -6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0166 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9157 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2090 -7.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9075 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8961 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5799 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6232 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 6 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 6 0 0 + 9 3 1 6 0 0 + 8 2 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl52 + +> +1 + +> +0 + +$$$$ +beta-D-Ribofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 6 0 0 + 8 3 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl53 + +> +0 + +> +0 + +$$$$ +beta-D-Ribopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 6 0 0 + 8 3 1 6 0 0 + 9 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl54 + +> +0 + +> +0 + +$$$$ +beta-D-Sorbofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 0 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 1 0 0 + 9 3 1 6 0 0 + 8 2 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl55 + +> +1 + +> +0 + +$$$$ +beta-D-Tagatofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11 5 1 0 0 0 + 11 10 1 0 0 0 + 5 8 1 0 0 0 + 10 9 1 0 0 0 + 8 9 1 0 0 0 + 8 7 1 0 0 0 + 7 1 1 0 0 0 + 11 12 1 1 0 0 + 12 6 1 0 0 0 + 10 4 1 1 0 0 + 9 3 1 1 0 0 + 8 2 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl56 + +> +1 + +> +0 + +$$$$ +beta-D-Talopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 1 0 999 V2000 + -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 12 1 0 0 0 + 11 5 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 1 0 0 + 7 1 1 1 0 0 + 8 2 1 1 0 0 + 9 3 1 1 0 0 + 10 4 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl57 + +> +0 + +> +0 + +$$$$ +beta-D-Threofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 1 0 999 V2000 + -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8 4 1 0 0 0 + 8 7 1 0 0 0 + 4 5 1 0 0 0 + 7 6 1 0 0 0 + 5 6 1 0 0 0 + 5 1 1 1 0 0 + 6 2 1 1 0 0 + 7 3 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl58 + +> +0 + +> +0 + +$$$$ +beta-D-Xylofuranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 4 1 0 0 0 + 9 8 1 0 0 0 + 4 6 1 0 0 0 + 8 7 1 0 0 0 + 6 7 1 0 0 0 + 9 10 1 1 0 0 + 10 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 6 0 0 + 8 3 1 1 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl59 + +> +0 + +> +0 + +$$$$ +beta-D-Xylopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 1 0 999 V2000 + -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5 10 1 0 0 0 + 10 9 1 0 0 0 + 9 8 1 0 0 0 + 8 7 1 0 0 0 + 7 6 1 0 0 0 + 6 5 1 0 0 0 + 6 1 1 1 0 0 + 7 2 1 6 0 0 + 8 3 1 1 0 0 + 9 4 1 6 0 0 +M END +> +beta-D-Sugars + +> +library.svg#tmpl60 + +> +0 + +> +0 + +$$$$ +Bicyclo[1-1-1]pentane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 6 0 0 0 999 V2000 + 9.8610 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4888 -6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5708 -7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8036 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9790 -7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 4 5 1 0 0 0 + 1 5 1 0 0 0 + 4 3 1 0 0 0 + 2 4 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl61 + +> +2 + +> +1 + +$$$$ +Bicyclo[2-1-1]hexane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 7 0 0 0 999 V2000 + 9.7097 -6.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3181 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4180 -6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6494 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7820 -7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4069 -7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 3 6 1 0 0 0 + 4 5 1 0 0 0 + 4 6 1 0 0 0 + 1 5 1 0 0 0 + 2 4 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl62 + +> +5 + +> +2 + +$$$$ +Bicyclo[2-2-1]heptane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 8 0 0 0 999 V2000 + 8.4502 -7.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8558 -6.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5667 -6.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3112 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3890 -5.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4498 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1221 -7.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 1 4 1 0 0 0 + 4 5 1 0 0 0 + 5 3 1 0 0 0 + 3 6 1 0 0 0 + 6 7 1 0 0 0 + 7 4 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl63 + +> +6 + +> +6 + +$$$$ +Bicyclo[3-1-1]heptane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 8 0 0 0 999 V2000 + 8.2782 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5291 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9238 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7847 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6209 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3670 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6898 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 + 1 6 1 0 0 0 + 6 2 1 0 0 0 + 1 7 1 0 0 0 + 7 4 1 0 0 0 + 4 3 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl64 + +> +1 + +> +0 + +$$$$ +Bicyclo[2-2-2]octane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 9 0 0 0 999 V2000 + 10.8583 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9678 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6767 -5.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9692 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1340 -4.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7980 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8417 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8429 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 6 1 0 0 0 + 4 7 1 0 0 0 + 5 8 1 0 0 0 + 6 7 1 0 0 0 + 6 8 1 0 0 0 + 5 2 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl65 + +> +1 + +> +1 + +$$$$ +Bicyclo[3-2-1]octane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 9 0 0 0 999 V2000 + 9.0974 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4087 -6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7744 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5802 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4086 -5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2389 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9413 -6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7036 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 + 1 6 1 0 0 0 + 6 2 1 0 0 0 + 4 7 1 0 0 0 + 1 8 1 0 0 0 + 7 8 1 0 0 0 + 4 3 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl66 + +> +1 + +> +7 + +$$$$ +Bicyclo[4-1-1]octane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 9 0 0 0 999 V2000 + 9.6925 -6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0458 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3397 -7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2905 -6.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9462 -6.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7017 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0038 -6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8230 -5.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 1 1 0 0 0 + 7 2 1 0 0 0 + 8 1 1 0 0 0 + 1 7 1 0 0 0 + 8 2 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl67 + +> +6 + +> +2 + +$$$$ +Bicyclo[4-1-1]octane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 9 0 0 0 999 V2000 + 10.2044 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5546 -7.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4884 -7.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8148 -7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4736 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2224 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3764 -8.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3337 -6.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 1 1 0 0 0 + 7 2 1 0 0 0 + 8 1 1 0 0 0 + 1 7 1 0 0 0 + 8 2 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl68 + +> +6 + +> +2 + +$$$$ +Bicyclo[3-2-2]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 8.9873 -5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9396 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9753 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0774 -6.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5071 -5.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2317 -7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8683 -7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5608 -6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5275 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 1 4 1 0 0 0 + 2 5 1 0 0 0 + 3 6 1 0 0 0 + 4 7 1 0 0 0 + 5 8 1 0 0 0 + 6 9 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl69 + +> +5 + +> +5 + +$$$$ +Bicyclo[3-3-1]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 8.9718 -5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8721 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4727 -5.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5289 -7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5522 -7.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0453 -6.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7203 -6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3240 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6297 -4.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 1 6 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 + 3 9 1 0 0 0 + 9 1 1 0 0 0 + 1 2 1 0 0 0 + 2 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl70 + +> +4 + +> +1 + +$$$$ +Bicyclo[4-2-1]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 9.1712 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1464 -6.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8839 -5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6571 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6761 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9410 -6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9661 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7138 -6.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9410 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 6 9 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl71 + +> +6 + +> +9 + +$$$$ +Bicyclo[4-2-1]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 9.8115 -5.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9067 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8460 -5.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6107 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6184 -5.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8802 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7040 -6.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6444 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8802 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 6 9 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl72 + +> +6 + +> +9 + +$$$$ +Bicyclo[4-2-1]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 7.9553 -6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1245 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8626 -5.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8073 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6505 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9147 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9374 -6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6857 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8236 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 + 9 6 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl73 + +> +6 + +> +8 + +$$$$ +Bicyclo[5-1-1]nonane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 7.7834 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6536 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4441 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1897 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3360 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0166 -6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7177 -6.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6682 -6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6683 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 3 1 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 2 1 0 0 0 + 3 9 1 0 0 0 + 2 9 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl74 + +> +5 + +> +4 + +$$$$ +Bicyclo[3-3-2]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 9.6949 -6.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6532 -5.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6838 -7.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8949 -7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2198 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9375 -8.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5821 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2787 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2352 -7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0125 -6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 1 4 1 0 0 0 + 2 5 1 0 0 0 + 3 6 1 0 0 0 + 5 8 1 0 0 0 + 6 9 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 4 10 1 0 0 0 + 10 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl75 + +> +5 + +> +4 + +$$$$ +Bicyclo[4-2-2]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.8472 -8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7259 -7.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4386 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2848 -6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3998 -7.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6896 -7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8114 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5351 -7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5895 -6.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8736 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 + 10 6 1 0 0 0 + 9 10 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl76 + +> +6 + +> +8 + +$$$$ +Bicyclo[4-2-2]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.7142 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8068 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5207 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5526 -5.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4737 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7622 -5.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8793 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6043 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6627 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9456 -4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 + 10 6 1 0 0 0 + 9 10 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl77 + +> +6 + +> +8 + +$$$$ +Bicyclo[4-2-2]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.8948 -6.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1410 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0133 -6.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6416 -5.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5699 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8608 -6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9867 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7095 -6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7603 -4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0456 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 8 7 1 0 0 0 + 10 6 1 0 0 0 + 9 10 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl78 + +> +6 + +> +8 + +$$$$ +Bicyclo[4-3-1]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 9.3349 -6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2468 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9681 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7891 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8711 -5.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1522 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1339 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6912 -5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0551 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6319 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 9 6 1 0 0 0 + 10 8 1 0 0 0 + 10 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl79 + +> +9 + +> +1 + +$$$$ +Bicyclo[4-3-1]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.8223 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1166 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8745 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5558 -5.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5492 -5.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8328 -6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6175 -6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4940 -5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7350 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3255 -5.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 9 6 1 0 0 0 + 10 8 1 0 0 0 + 10 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl80 + +> +9 + +> +1 + +$$$$ +Bicyclo[4-3-1]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 9.4787 -5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3279 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0029 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0617 -6.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0396 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5557 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1589 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8008 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1673 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6327 -5.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 1 6 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 + 3 9 1 0 0 0 + 9 1 1 0 0 0 + 1 2 1 0 0 0 + 10 2 1 0 0 0 + 10 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl81 + +> +4 + +> +10 + +$$$$ +Bicyclo[4-3-1]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.5704 -6.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0229 -7.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0468 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2626 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4354 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7455 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6855 -7.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7071 -7.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1753 -5.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0646 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 + 3 9 1 0 0 0 + 9 1 1 0 0 0 + 1 2 1 0 0 0 + 10 2 1 0 0 0 + 10 7 1 0 0 0 + 1 6 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl82 + +> +4 + +> +9 + +$$$$ +Bicyclo[5-2-1]decane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 8.3634 -6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5495 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5102 -6.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2905 -6.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0719 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2732 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9866 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6733 -7.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5735 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5254 -5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 1 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 3 1 0 0 0 + 4 10 1 0 0 0 + 3 10 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl83 + +> +6 + +> +0 + +$$$$ +Bicyclo[3-3-3]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 9.9074 -6.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8681 -5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8403 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1527 -6.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4592 -6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0797 -7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8576 -7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5146 -7.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4171 -7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3203 -6.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7496 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 1 4 1 0 0 0 + 3 6 1 0 0 0 + 5 8 1 0 0 0 + 6 9 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 4 10 1 0 0 0 + 10 7 1 0 0 0 + 11 5 1 0 0 0 + 11 2 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl84 + +> +5 + +> +3 + +$$$$ +Bicyclo[4-3-2]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 7.6205 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4403 -6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1378 -5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0284 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2020 -5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5071 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5718 -6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0916 -5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2122 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1122 -5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5429 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 10 8 1 0 0 0 + 10 7 1 0 0 0 + 11 6 1 0 0 0 + 11 9 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl85 + +> +9 + +> +1 + +$$$$ +Bicyclo[4-3-2]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 7.3641 -7.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6057 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3457 -7.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0778 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1454 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4502 -7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2932 -7.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1606 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1660 -5.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0543 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5281 -6.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 5 1 0 0 0 + 9 5 1 0 0 0 + 10 8 1 0 0 0 + 10 7 1 0 0 0 + 11 6 1 0 0 0 + 11 9 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl86 + +> +9 + +> +1 + +$$$$ +Bicyclo[4-3-2]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 9.7033 -5.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5086 -5.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2474 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3085 -7.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2474 -7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7831 -6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3333 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9996 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4180 -4.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7872 -5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9628 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 1 6 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 + 9 1 1 0 0 0 + 1 2 1 0 0 0 + 10 2 1 0 0 0 + 10 7 1 0 0 0 + 11 3 1 0 0 0 + 11 9 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl87 + +> +4 + +> +9 + +$$$$ +Bicyclo[4-3-2]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 9.5890 -6.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0222 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0821 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3408 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5198 -6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8056 -6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6729 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7305 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4155 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0302 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7926 -5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 + 3 9 1 0 0 0 + 1 2 1 0 0 0 + 10 2 1 0 0 0 + 10 7 1 0 0 0 + 11 1 1 0 0 0 + 11 9 1 0 0 0 + 1 6 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl88 + +> +4 + +> +1 + +$$$$ +Bicyclo[4-4-1]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 7.3728 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5265 -6.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7360 -7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7807 -7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6269 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4231 -6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6410 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3196 -6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5235 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6773 -7.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2693 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 7 5 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl89 + +> +1 + +> +1 + +$$$$ +Bicyclo[4-4-1]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 7.9403 -6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8374 -6.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0510 -7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1162 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9789 -7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7711 -6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9934 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5477 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9126 -7.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0498 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8001 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 7 5 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl90 + +> +1 + +> +1 + +$$$$ +Bicyclo[4-4-1]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 8.3680 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7511 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9725 -6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5503 -6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4446 -5.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2291 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4595 -4.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0708 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4489 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5546 -6.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2957 -5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 7 5 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl91 + +> +1 + +> +1 + +$$$$ +Bicyclo[5-3-1]undecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 7.4699 -5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9044 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8921 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7678 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5569 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3072 -5.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4607 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1456 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8448 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7887 -6.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7825 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 5 1 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 4 1 0 0 0 + 5 11 1 0 0 0 + 4 11 1 0 0 0 + 2 1 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl92 + +> +1 + +> +0 + +$$$$ +Bicyclo[4-4-2]dodecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 13 0 0 0 999 V2000 + 7.9693 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0472 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2754 -6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4140 -6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3360 -6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1138 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1109 -4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1806 -5.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4028 -6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4808 -6.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0361 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3405 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 12 5 1 0 0 0 + 12 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl93 + +> +1 + +> +1 + +$$$$ +Bicyclo[4-4-2]dodecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 13 0 0 0 999 V2000 + 6.8935 -6.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6766 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9121 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0877 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0396 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8103 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8078 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7709 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1734 -6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2215 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9457 -6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0429 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 12 5 1 0 0 0 + 12 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl94 + +> +1 + +> +1 + +$$$$ +Bicyclo[4-4-2]dodecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 13 0 0 0 999 V2000 + 6.5042 -6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8305 -7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0721 -7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7035 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6802 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4449 -6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4449 -4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4564 -6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8695 -6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8927 -6.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6100 -6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6889 -5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 + 10 9 1 0 0 0 + 5 10 1 0 0 0 + 11 6 1 0 0 0 + 12 5 1 0 0 0 + 12 7 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl95 + +> +1 + +> +1 + +$$$$ +Bicyclo[5-3-2]dodecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 13 0 0 0 999 V2000 + 7.9640 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3691 -6.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4082 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3295 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0216 -5.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8969 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1103 -5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8309 -6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5145 -6.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4035 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0255 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3287 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 5 1 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 4 1 0 0 0 + 2 1 1 0 0 0 + 11 5 1 0 0 0 + 12 4 1 0 0 0 + 11 12 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl96 + +> +1 + +> +0 + +$$$$ +Bicyclo[5-4-1]dodecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 13 0 0 0 999 V2000 + 7.7173 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8210 -5.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0428 -6.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1495 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0457 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8297 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5976 -4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7781 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4790 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1712 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0905 -6.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0605 -4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 5 1 0 0 0 + 6 12 1 0 0 0 + 5 12 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl97 + +> +8 + +> +7 + +$$$$ +Bicyclo[5-3-3]tridecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 14 0 0 0 999 V2000 + 8.4981 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2280 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0887 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2012 -4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4418 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8730 -6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7468 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9461 -5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4646 -4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5590 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1539 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8112 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5669 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 4 3 1 0 0 0 + 2 4 1 0 0 0 + 5 6 1 0 0 0 + 7 1 1 0 0 0 + 8 7 1 0 0 0 + 8 6 1 0 0 0 + 1 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 0 0 0 + 12 13 1 0 0 0 + 13 5 1 0 0 0 + 3 5 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl98 + +> +10 + +> +9 + +$$$$ +Bicyclo[5-4-2]tridecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 14 0 0 0 999 V2000 + 7.4687 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5107 -5.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7478 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9306 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8885 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6576 -5.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4784 -5.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7402 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4893 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1604 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0052 -6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6549 -4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8882 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 5 1 0 0 0 + 12 6 1 0 0 0 + 13 5 1 0 0 0 + 13 12 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl99 + +> +8 + +> +7 + +$$$$ +Bicyclo[5-5-1]tridecane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 14 0 0 0 999 V2000 + 7.5850 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5169 -6.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6632 -7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8369 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7693 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5517 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3258 -5.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5160 -5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2226 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9123 -6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8227 -7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7845 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0774 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 6 1 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 5 1 0 0 0 + 6 12 1 0 0 0 + 5 12 1 0 0 0 + 13 3 1 0 0 0 + 13 2 1 0 0 0 +M END +> +Bicycles + +> +library.svg#tmpl100 + +> +8 + +> +6 + +$$$$ +Adamantane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 12 0 0 0 999 V2000 + 7.5634 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4530 -6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4530 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9968 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1070 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1070 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9968 -6.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8866 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3428 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8866 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 4 10 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 2 9 1 0 0 0 + 1 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 5 6 1 0 0 0 + 8 10 1 0 0 0 + 2 3 1 0 0 0 +M END +> +Bridged Polycyclics + +> +library.svg#tmpl101 + +> +1 + +> +0 + +$$$$ +Cubane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 12 0 0 0 999 V2000 + 7.9520 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6899 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6650 -6.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9597 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9872 -5.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2488 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4012 -5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6964 -6.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 3 1 1 0 0 0 + 1 6 1 0 0 0 + 2 5 1 0 0 0 + 7 2 1 0 0 0 + 3 4 1 0 0 0 + 7 3 1 0 0 0 + 4 6 1 0 0 0 + 8 4 1 0 0 0 + 5 6 1 0 0 0 + 8 5 1 0 0 0 + 8 7 1 0 0 0 +M END +> +Bridged Polycyclics + +> +library.svg#tmpl102 + +> +7 + +> +11 + +$$$$ +Prismane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 9 0 0 0 999 V2000 + 7.7612 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0907 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1698 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1678 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0887 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7593 -5.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 3 1 1 0 0 0 + 3 2 1 0 0 0 + 4 5 1 0 0 0 + 4 6 1 0 0 0 + 5 6 1 0 0 0 + 1 6 1 0 0 0 + 3 4 1 0 0 0 + 2 5 1 0 0 0 +M END +> +Bridged Polycyclics + +> +library.svg#tmpl103 + +> +3 + +> +7 + +$$$$ +Twistane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 12 0 0 0 999 V2000 + 10.9227 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6642 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5688 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8274 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7871 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5284 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6238 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8825 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7835 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6165 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 2 4 1 0 0 0 + 3 4 1 0 0 0 + 5 6 1 0 0 0 + 7 5 1 0 0 0 + 8 7 1 0 0 0 + 9 3 1 0 0 0 + 9 6 1 0 0 0 + 10 1 1 0 0 0 + 10 8 1 0 0 0 + 1 6 1 0 0 0 + 3 8 1 0 0 0 +M END +> +Bridged Polycyclics + +> +library.svg#tmpl104 + +> +0 + +> +1 + +$$$$ +12-Crown-4 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 0 0 999 V2000 + 9.6950 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6961 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7230 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4895 -2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4888 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2724 -3.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3039 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3039 -5.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2718 -5.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4935 -6.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4934 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7126 -5.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 0 0 0 + 12 1 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl105 + +> +0 + +> +0 + +$$$$ +13-Crown-4 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 13 0 0 0 999 V2000 + 6.2108 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2098 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1789 -6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1735 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3479 -7.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3527 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3428 -7.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3459 -3.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7617 -6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7571 -4.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7493 -6.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7528 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2902 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 13 1 0 0 0 + 1 2 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl106 + +> +0 + +> +0 + +$$$$ +14-Crown-4 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 14 0 0 0 999 V2000 + 11.4453 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9013 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9150 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9132 -4.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9274 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5059 -3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5286 -6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4978 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5308 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1114 -4.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1336 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1388 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1473 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6047 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 13 14 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl107 + +$$$$ +15-Crown-5 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 15 15 0 0 0 999 V2000 + 9.3051 -3.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1168 -4.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4997 -4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8472 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6861 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6483 -5.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8859 -4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3419 -6.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1594 -5.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3292 -6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3517 -5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0217 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6728 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0073 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6647 -6.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 13 15 1 0 0 0 + 14 15 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl108 + +$$$$ +16-Crown-5 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 16 16 0 0 0 999 V2000 + 10.1579 -7.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3604 -8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8558 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5517 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6502 -6.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7522 -8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4079 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9519 -7.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3921 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2224 -7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3715 -4.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3998 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4688 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5949 -5.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5786 -4.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5857 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 13 15 1 0 0 0 + 14 16 1 0 0 0 + 15 16 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl109 + +> +0 + +> +0 + +$$$$ +17-Crown-5 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 0 0 999 V2000 + 11.0779 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1260 -6.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2569 -7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4815 -7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7011 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8165 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8151 -6.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8549 -6.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6443 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4333 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3911 -5.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9204 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9543 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4969 -5.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4504 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2557 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1487 -7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 6 7 1 0 0 0 + 11 12 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 10 11 1 0 0 0 + 15 16 1 0 0 0 + 14 15 1 0 0 0 + 16 1 1 0 0 0 + 2 17 1 0 0 0 + 17 3 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl110 + +$$$$ +18-Crown-6 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 12.0989 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0984 -7.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1742 -7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2561 -8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3671 -9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5542 -8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7470 -9.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8655 -8.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9673 -7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0511 -7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0591 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9807 -6.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8891 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7538 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5585 -5.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3625 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2539 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1740 -6.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 3 4 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 7 8 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 11 12 1 0 0 0 + 16 17 1 0 0 0 + 17 18 1 0 0 0 + 15 16 1 0 0 0 + 1 18 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl111 + +$$$$ +20-Crown-6 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 20 20 0 0 0 999 V2000 + 12.9696 -6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4562 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4568 -5.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4567 -7.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4506 -5.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2686 -8.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2545 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3166 -8.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3019 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5590 -8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5486 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7892 -4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8656 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8443 -4.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6577 -7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6557 -5.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6451 -7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6382 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1304 -6.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8033 -8.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 11 12 1 0 0 0 + 13 15 1 0 0 0 + 14 16 1 0 0 0 + 15 17 1 0 0 0 + 16 18 1 0 0 0 + 17 19 1 0 0 0 + 18 19 1 0 0 0 + 12 14 1 0 0 0 + 13 20 1 0 0 0 + 10 20 1 0 0 0 + 3 1 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl112 + +$$$$ +21-Crown-7 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 21 21 0 0 0 999 V2000 + 9.2476 -4.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3448 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3272 -5.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3374 -5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0975 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8706 -7.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4253 -8.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0491 -8.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0215 -8.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4631 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4605 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8988 -8.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8812 -8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5114 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7121 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8084 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0256 -4.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1044 -7.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7139 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9025 -6.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6937 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 3 4 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 7 8 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 11 12 1 0 0 0 + 15 16 1 0 0 0 + 16 17 1 0 0 0 + 1 17 1 0 0 0 + 14 18 1 0 0 0 + 19 15 1 0 0 0 + 18 20 1 0 0 0 + 19 21 1 0 0 0 + 20 21 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl113 + +> +0 + +> +0 + +$$$$ +24-Crown-8 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 24 24 0 0 0 999 V2000 + 9.0714 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5688 -8.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0589 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5317 -9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5767 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2612 -8.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6218 -8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9970 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9000 -8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8824 -6.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1947 -7.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8855 -5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3145 -6.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0044 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3384 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2885 -4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2280 -5.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5636 -3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9695 -4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6083 -4.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7013 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1273 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6397 -4.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1264 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 13 15 1 0 0 0 + 14 16 1 0 0 0 + 15 17 1 0 0 0 + 16 18 1 0 0 0 + 17 19 1 0 0 0 + 18 20 1 0 0 0 + 19 21 1 0 0 0 + 20 22 1 0 0 0 + 21 23 1 0 0 0 + 22 24 1 0 0 0 + 23 24 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl114 + +$$$$ +27-Crown-9 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 27 27 0 0 0 999 V2000 + 12.8715 -5.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4227 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3172 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2176 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3116 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0558 -7.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0873 -3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1143 -8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2476 -9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3689 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6009 -3.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1290 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5183 -9.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6486 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9884 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4426 -9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4301 -4.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9807 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4253 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4473 -9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8996 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5287 -9.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3912 -6.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7155 -9.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6324 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8191 -8.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8489 -7.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 8 9 1 0 0 0 + 10 11 1 0 0 0 + 10 12 1 0 0 0 + 11 14 1 0 0 0 + 13 15 1 0 0 0 + 13 16 1 0 0 0 + 14 17 1 0 0 0 + 15 18 1 0 0 0 + 17 19 1 0 0 0 + 18 20 1 0 0 0 + 19 21 1 0 0 0 + 20 22 1 0 0 0 + 21 23 1 0 0 0 + 22 24 1 0 0 0 + 23 25 1 0 0 0 + 24 26 1 0 0 0 + 26 27 1 0 0 0 + 12 7 1 0 0 0 + 9 16 1 0 0 0 + 27 25 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl115 + +$$$$ +30-Crown-10 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 30 30 0 0 0 999 V2000 + 10.5968 -3.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5443 -3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8344 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7938 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1029 -3.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7946 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1487 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4230 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8987 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0643 -6.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9078 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9365 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3013 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9385 -7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6787 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0639 -8.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8115 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4322 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8115 -7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8108 -10.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6722 -8.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8119 -9.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2940 -9.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5637 -10.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8989 -9.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5955 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9003 -9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1417 -10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0967 -11.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8494 -10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 4 6 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 14 16 1 0 0 0 + 15 17 1 0 0 0 + 16 18 1 0 0 0 + 17 19 1 0 0 0 + 19 21 1 0 0 0 + 20 22 1 0 0 0 + 21 23 1 0 0 0 + 22 24 1 0 0 0 + 23 25 1 0 0 0 + 24 26 1 0 0 0 + 27 28 1 0 0 0 + 29 30 1 0 0 0 + 5 7 1 0 0 0 + 18 20 1 0 0 0 + 25 27 1 0 0 0 + 28 29 1 0 0 0 + 26 30 1 0 0 0 + 15 13 1 0 0 0 + 5 3 1 0 0 0 +M END +> +Crown Ethers + +> +library.svg#tmpl116 + +> +0 + +> +0 + +$$$$ +ALA-D-Alanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 5 0 0 0 999 V2000 + 13.6701 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6701 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8003 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5335 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5335 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3999 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 1 0 0 + 2 4 1 0 0 0 + 4 5 2 0 0 0 + 4 6 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl117 + +> +2 + +> +0 + +$$$$ +ARG-D-Arginine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 0 0 999 V2000 + 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 10 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 7 9 2 0 0 0 + 10 11 2 0 0 0 + 10 12 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl118 + +> +0 + +> +7 + +$$$$ +ASN-D-Asparagine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 7 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 4 6 2 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl119 + +> +0 + +> +4 + +$$$$ +ASP-D-Aspartic acid + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 7 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 4 6 2 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl120 + +> +0 + +> +4 + +$$$$ +CYS-D-Cysteine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 6 0 0 0 999 V2000 + 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 5 1 0 0 0 + 3 4 1 0 0 0 + 5 6 2 0 0 0 + 5 7 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl121 + +> +0 + +> +3 + +$$$$ +GLN-D-Glutamine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 5 7 2 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl122 + +> +0 + +> +5 + +$$$$ +GLU-D-Glutamic acid + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 5 7 2 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl123 + +> +0 + +> +5 + +$$$$ +GLY-Glycine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 4 0 0 0 999 V2000 + 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 2 5 2 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl124 + +> +2 + +> +1 + +$$$$ +HIS-D-Histidine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 11 0 0 0 999 V2000 + 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 9 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 8 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 9 10 2 0 0 0 + 9 11 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl125 + +> +0 + +> +1 + +$$$$ +ILE-D-Isoleucine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 6 0 0 + 3 5 1 0 0 0 + 5 6 1 1 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl126 + +> +5 + +> +0 + +$$$$ +LEU-D-Leucine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 2 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 1 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl127 + +> +5 + +> +0 + +$$$$ +LYS-D-Lysine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 1 0 0 + 6 8 1 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl128 + +> +6 + +> +0 + +$$$$ +MET-D-Methionine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 1 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl129 + +> +5 + +> +0 + +$$$$ +PHE-D-Phenylalanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 11 0 0 0 999 V2000 + 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 6 1 0 0 0 + 3 4 2 0 0 0 + 3 5 1 0 0 0 + 6 7 1 0 0 0 + 6 11 2 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl130 + +> +0 + +> +4 + +$$$$ +PRO-D-Proline + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 0 0 999 V2000 + 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 3 2 1 1 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 3 7 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl131 + +> +6 + +> +2 + +$$$$ +SER-D-Serine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 6 0 0 0 999 V2000 + 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 5 1 0 0 0 + 3 4 1 0 0 0 + 5 6 2 0 0 0 + 5 7 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl132 + +> +0 + +> +3 + +$$$$ +THR-D-Threonine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 0 0 999 V2000 + 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 1 0 0 + 2 4 1 0 0 0 + 4 5 1 1 0 0 + 4 6 1 0 0 0 + 6 7 2 0 0 0 + 6 8 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl133 + +> +4 + +> +0 + +$$$$ +TRP-D-Tryptophan + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 15 16 0 0 0 999 V2000 + 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 13 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 8 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 7 12 1 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 + 11 12 2 0 0 0 + 13 14 2 0 0 0 + 13 15 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl134 + +> +0 + +> +15 + +$$$$ +TYR-D-Tyrosine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 13 0 0 0 999 V2000 + 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 1 0 0 + 2 3 1 0 0 0 + 2 11 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 10 1 0 0 0 + 5 6 1 0 0 0 + 6 7 2 0 0 0 + 7 8 1 0 0 0 + 7 9 1 0 0 0 + 9 10 2 0 0 0 + 11 12 2 0 0 0 + 11 13 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl135 + +> +0 + +> +8 + +$$$$ +VAL-D-Valine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 0 0 999 V2000 + 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 2 4 1 0 0 0 + 4 5 1 1 0 0 + 4 6 1 0 0 0 + 6 7 2 0 0 0 + 6 8 1 0 0 0 +M END +> +D-Amino Acids + +> +library.svg#tmpl136 + +> +4 + +> +0 + +$$$$ +D-Allose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.4194 -1.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9924 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4387 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0204 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4629 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0221 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4407 1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1127 2.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2718 1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2093 0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2702 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1849 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 6 0 0 + 5 10 1 1 0 0 + 4 11 1 6 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl137 + +> +0 + +> +0 + +$$$$ +D-Altrose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.4516 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0245 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4709 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0525 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4950 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4729 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1448 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3040 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2414 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3024 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2171 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 1 0 0 + 5 10 1 1 0 0 + 4 11 1 6 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl138 + +> +0 + +> +0 + +$$$$ +D-Arabinose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -3.8949 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4593 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8995 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4675 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9005 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4667 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4723 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7192 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6437 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7111 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 7 1 0 0 0 + 4 8 1 1 0 0 + 3 9 1 1 0 0 + 2 10 1 6 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl139 + +> +6 + +> +5 + +$$$$ +D-Erythrose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 1 0 999 V2000 + -4.1906 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7523 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1844 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7532 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1786 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7458 3.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0034 1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9299 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 4 7 1 6 0 0 + 3 8 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl140 + +> +0 + +> +0 + +$$$$ +D-Erythrulose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 1 0 999 V2000 + -4.1896 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7907 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2449 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8481 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7539 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0537 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9812 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3557 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 1 5 1 0 0 0 + 2 6 2 0 0 0 + 3 7 1 1 0 0 + 8 4 1 0 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl141 + +> +4 + +> +3 + +$$$$ +D-Fructose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.1480 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5728 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1297 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5540 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1105 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5532 -1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1339 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5796 2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3170 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3814 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2979 0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3622 -0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 1 8 1 0 0 0 + 2 9 2 0 0 0 + 3 10 1 1 0 0 + 4 11 1 1 0 0 + 5 12 1 6 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl142 + +> +7 + +> +6 + +$$$$ +D-Galactose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.8880 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4609 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9072 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4890 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9315 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4907 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9093 2.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5812 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7403 2.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6779 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7387 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6535 0.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 6 0 0 + 5 10 1 6 0 0 + 4 11 1 1 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl143 + +> +0 + +> +0 + +$$$$ +D-Glucose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.5186 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9457 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4995 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9178 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4754 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9163 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4978 2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8217 3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6624 1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7249 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6639 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7491 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 1 0 0 + 5 10 1 1 0 0 + 4 11 1 1 0 0 + 3 12 1 6 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl144 + +> +0 + +> +0 + +$$$$ +D-Gulose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -4.3047 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8775 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3239 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9056 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3481 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9073 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3260 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9978 3.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1570 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0945 1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1554 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0702 0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 6 0 0 + 5 10 1 1 0 0 + 4 11 1 1 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl145 + +> +0 + +> +0 + +$$$$ +D-Idose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.7380 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3109 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7572 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3390 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7815 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3407 1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7593 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4312 3.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5903 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5279 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5887 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5035 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 1 0 0 + 5 10 1 1 0 0 + 4 11 1 1 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl146 + +> +0 + +> +0 + +$$$$ +D-Lyxose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -3.9033 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3348 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8987 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3307 2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8977 2.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3273 3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3259 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0749 2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1504 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0829 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 7 1 0 0 0 + 4 8 1 6 0 0 + 3 9 1 1 0 0 + 2 10 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl147 + +> +6 + +> +5 + +$$$$ +D-Mannose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.9005 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4734 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9197 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5015 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9440 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5032 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9218 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5937 3.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7528 1.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6904 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7512 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6660 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 1 0 0 + 5 10 1 6 0 0 + 4 11 1 6 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl148 + +> +0 + +> +0 + +$$$$ +D-Psicose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -4.1455 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7122 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1459 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7164 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1511 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6999 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1099 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7230 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9598 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8942 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9639 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8992 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 1 8 1 0 0 0 + 2 9 2 0 0 0 + 3 10 1 1 0 0 + 4 11 1 6 0 0 + 5 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl149 + +> +7 + +> +6 + +$$$$ +D-Ribose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -3.4471 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8828 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4426 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8747 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4417 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8713 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8696 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6188 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6943 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6268 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 7 1 0 0 0 + 4 8 1 1 0 0 + 3 9 1 6 0 0 + 2 10 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl150 + +> +6 + +> +5 + +$$$$ +D-Ribulose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -3.1689 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6004 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1643 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5963 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1633 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5929 2.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4160 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5914 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3485 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3252 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 3 7 1 6 0 0 + 1 8 1 0 0 0 + 2 9 1 1 0 0 + 4 10 2 0 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl151 + +> +7 + +> +6 + +$$$$ +D-Sorbose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -3.8077 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3743 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8123 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3785 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8133 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3620 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7721 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3851 3.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6219 1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5564 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6301 0.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5573 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 1 8 1 0 0 0 + 2 9 2 0 0 0 + 3 10 1 1 0 0 + 4 11 1 1 0 0 + 5 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl152 + +> +7 + +> +6 + +$$$$ +D-Tagatose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -5.3565 3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7786 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3570 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7842 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3640 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7622 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3090 -1.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7930 4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7752 2.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3552 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7806 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3619 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 1 8 1 0 0 0 + 2 9 2 0 0 0 + 3 10 1 6 0 0 + 4 11 1 1 0 0 + 5 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl153 + +> +7 + +> +6 + +$$$$ +D-Talose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 1 0 999 V2000 + -4.0547 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6275 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0739 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6556 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0981 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6573 2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0760 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7478 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9070 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8445 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9054 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8202 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 1 0 0 + 5 10 1 6 0 0 + 4 11 1 1 0 0 + 3 12 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl154 + +> +0 + +> +0 + +$$$$ +D-Threose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 1 0 999 V2000 + -4.7339 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3006 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7343 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3045 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7353 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3079 3.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5548 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4800 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 4 7 1 1 0 0 + 3 8 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl155 + +> +0 + +> +0 + +$$$$ +D-Xylose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -3.7801 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2157 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7755 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2075 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7745 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2083 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2027 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9517 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0272 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9597 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 2 0 0 0 + 1 7 1 0 0 0 + 4 8 1 1 0 0 + 3 9 1 1 0 0 + 2 10 1 1 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl156 + +> +6 + +> +5 + +$$$$ +D-Xylulose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 1 0 999 V2000 + -2.9398 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3754 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9352 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3672 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9342 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3638 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1827 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3623 -0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1235 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1002 1.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 3 7 1 1 0 0 + 1 8 1 0 0 0 + 2 9 1 1 0 0 + 4 10 2 0 0 0 +M END +> +D-Sugars + +> +library.svg#tmpl157 + +> +7 + +> +6 + +$$$$ +1_2_3-Oxadiazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl158 + +> +1 + +> +0 + +$$$$ +Dioxane + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl159 + +> +0 + +> +1 + +$$$$ +Furan + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl160 + +> +1 + +> +0 + +$$$$ +Imidazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl161 + +> +0 + +> +0 + +$$$$ +Indole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 6.3344 -5.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0524 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1974 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 + 8 9 2 0 0 0 + 7 8 1 0 0 0 + 2 9 1 0 0 0 + 4 7 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl162 + +> +6 + +> +6 + +$$$$ +Isoquinoline + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3584 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0717 -6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 2 4 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 + 8 7 2 0 0 0 + 9 10 2 0 0 0 + 10 8 1 0 0 0 + 4 9 1 0 0 0 + 2 7 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl163 + +> +8 + +> +0 + +$$$$ +Isoxazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl164 + +> +2 + +> +0 + +$$$$ +Morpholine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl165 + +> +5 + +> +1 + +$$$$ +Oxazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl166 + +> +4 + +> +0 + +$$$$ +Piperazine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -4.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl167 + +> +5 + +> +1 + +$$$$ +Piperidine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 3.0000 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7160 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4320 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4320 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7160 -9.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl168 + +> +5 + +> +0 + +$$$$ +Purine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 10 0 0 0 999 V2000 + 6.3344 -5.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0524 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1974 -5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 + 8 9 2 0 0 0 + 7 8 1 0 0 0 + 2 9 1 0 0 0 + 4 7 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl169 + +> +6 + +> +7 + +$$$$ +Pyran + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl170 + +> +0 + +> +1 + +$$$$ +Pyrazine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1256 -3.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl171 + +> +0 + +> +2 + +$$$$ +Pyrazol + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl172 + +> +0 + +> +0 + +$$$$ +Pyridazine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4094 -4.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl173 + +> +0 + +> +0 + +$$$$ +Pyridine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl174 + +> +3 + +> +1 + +$$$$ +Pyridone + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 7 0 0 0 999 V2000 + 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9750 -4.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 6 1 0 0 0 + 1 7 2 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl175 + +> +5 + +> +5 + +$$$$ +Pyrimidine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl176 + +> +4 + +> +1 + +$$$$ +Pyrole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.6685 -10.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2553 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0817 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3370 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl177 + +$$$$ +Pyrone + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 7 0 0 0 999 V2000 + 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9750 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 6 1 0 0 0 + 1 7 2 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl178 + +> +4 + +> +4 + +$$$$ +Pyrrolidine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3632 -3.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl179 + +> +1 + +> +2 + +$$$$ +Quinoline + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3584 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0717 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 2 4 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 + 8 7 2 0 0 0 + 9 10 2 0 0 0 + 10 8 1 0 0 0 + 4 9 1 0 0 0 + 2 7 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl180 + +> +9 + +> +8 + +$$$$ +Tetrahydrofuran + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3632 -3.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl181 + +> +2 + +> +2 + +$$$$ +Tetrahydrothiophene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3632 -3.3980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl182 + +> +2 + +> +2 + +$$$$ +Tetrazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl183 + +> +0 + +> +1 + +$$$$ +Thiophene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl184 + +> +4 + +> +3 + +$$$$ +Triazine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl185 + +> +3 + +> +1 + +$$$$ +Triazole + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 2 0 0 0 + 1 2 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 +M END +> +Heterocyclic Rings + +> +library.svg#tmpl186 + +> +0 + +> +1 + +$$$$ +ALA-L-Alanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 5 0 0 0 999 V2000 + 13.6700 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6700 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8002 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5334 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5334 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3998 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 6 0 0 + 2 4 1 0 0 0 + 4 5 2 0 0 0 + 4 6 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl187 + +> +2 + +> +0 + +$$$$ +ARG-L-Arginine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 11 0 0 0 999 V2000 + 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 10 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 7 9 2 0 0 0 + 10 11 2 0 0 0 + 10 12 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl188 + +> +0 + +> +7 + +$$$$ +ASN-L-Asparagine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 7 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 4 6 2 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl189 + +> +0 + +> +4 + +$$$$ +ASP-L-Aspartic acid + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 7 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 4 6 2 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl190 + +> +0 + +> +4 + +$$$$ +CYS-L-Cysteine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 6 0 0 0 999 V2000 + 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 5 1 0 0 0 + 3 4 1 0 0 0 + 5 6 2 0 0 0 + 5 7 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl191 + +> +0 + +> +3 + +$$$$ +GLN-L-Glutamine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 5 7 2 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl192 + +> +0 + +> +5 + +$$$$ +GLU-L-Glutamic acid + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 5 7 2 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl193 + +> +0 + +> +5 + +$$$$ +GLY-Glycine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 4 0 0 0 999 V2000 + 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 2 5 2 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl194 + +> +2 + +> +1 + +$$$$ +HIS-L-Histidine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 11 0 0 0 999 V2000 + 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 9 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 8 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 9 10 2 0 0 0 + 9 11 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl195 + +> +0 + +> +1 + +$$$$ +ILE-L-Isoleucine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 1 0 0 + 3 5 1 0 0 0 + 5 6 1 6 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl196 + +> +5 + +> +0 + +$$$$ +LEU-L-Leucine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 2 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 6 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl197 + +> +5 + +> +0 + +$$$$ +LYS-L-Lysine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 9 0 0 0 999 V2000 + 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 6 0 0 + 6 8 1 0 0 0 + 8 9 2 0 0 0 + 8 10 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl198 + +> +6 + +> +0 + +$$$$ +MET-L-Methionine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 8 0 0 0 999 V2000 + 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 6 0 0 + 5 7 1 0 0 0 + 7 8 2 0 0 0 + 7 9 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl199 + +> +5 + +> +0 + +$$$$ +PHE-L-Phenylalanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 11 0 0 0 999 V2000 + 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 6 1 0 0 0 + 3 4 2 0 0 0 + 3 5 1 0 0 0 + 6 7 1 0 0 0 + 6 11 2 0 0 0 + 7 8 2 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl200 + +> +0 + +> +0 + +$$$$ +PRO-L-Proline + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 0 0 999 V2000 + 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 + 3 2 1 6 0 0 + 2 8 1 0 0 0 + 3 4 1 0 0 0 + 3 7 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl201 + +> +6 + +> +2 + +$$$$ +SER-L-Serine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 6 0 0 0 999 V2000 + 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 5 1 0 0 0 + 3 4 1 0 0 0 + 5 6 2 0 0 0 + 5 7 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl202 + +> +0 + +> +3 + +$$$$ +THR-L-Threonine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 0 0 999 V2000 + 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 6 0 0 + 2 4 1 0 0 0 + 4 5 1 6 0 0 + 4 6 1 0 0 0 + 6 7 2 0 0 0 + 6 8 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl203 + +> +4 + +> +0 + +$$$$ +TRP-L-Tryptophan + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 15 16 0 0 0 999 V2000 + 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 13 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 8 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 2 0 0 0 + 7 12 1 0 0 0 + 8 9 1 0 0 0 + 9 10 2 0 0 0 + 10 11 1 0 0 0 + 11 12 2 0 0 0 + 13 14 2 0 0 0 + 13 15 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl204 + +> +0 + +> +15 + +$$$$ +TYR-L-Tyrosine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 13 0 0 0 999 V2000 + 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 6 0 0 + 2 3 1 0 0 0 + 2 11 1 0 0 0 + 3 4 1 0 0 0 + 4 5 2 0 0 0 + 4 10 1 0 0 0 + 5 6 1 0 0 0 + 6 7 2 0 0 0 + 7 8 1 0 0 0 + 7 9 1 0 0 0 + 9 10 2 0 0 0 + 11 12 2 0 0 0 + 11 13 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl205 + +> +0 + +> +8 + +$$$$ +VAL-L-Valine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 7 0 0 0 999 V2000 + 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 2 4 1 0 0 0 + 4 5 1 6 0 0 + 4 6 1 0 0 0 + 6 7 2 0 0 0 + 6 8 1 0 0 0 +M END +> +L-Amino Acids + +> +library.svg#tmpl206 + +> +4 + +> +0 + +$$$$ +Adenine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 11 0 0 0 999 V2000 + 3.4903 -2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1974 -1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1974 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9070 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4956 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8834 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6333 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6333 -0.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8834 0.2478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 2 0 0 0 + 2 5 1 0 0 0 + 3 6 2 0 0 0 + 4 7 1 0 0 0 + 5 8 2 0 0 0 + 7 9 2 0 0 0 + 7 10 1 0 0 0 + 4 6 1 0 0 0 + 8 9 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl207 + +> +0 + +> +1 + +$$$$ +Cytosine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 0 0 999 V2000 + 3.7084 -1.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4211 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4211 -0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1335 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7050 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7050 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 2 5 2 0 0 0 + 3 6 2 0 0 0 + 4 7 2 0 0 0 + 7 8 1 0 0 0 + 6 7 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl208 + +> +0 + +> +1 + +$$$$ +Guanine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 12 0 0 0 999 V2000 + 3.4897 0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1974 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1974 1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9066 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5004 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8887 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6377 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6377 1.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8887 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3288 0.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 2 0 0 0 + 2 5 1 0 0 0 + 3 6 2 0 0 0 + 4 7 1 0 0 0 + 5 8 2 0 0 0 + 7 9 1 0 0 0 + 7 10 2 0 0 0 + 4 6 1 0 0 0 + 8 9 1 0 0 0 + 8 11 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl209 + +> +0 + +> +1 + +$$$$ +Thymine + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 9 0 0 0 999 V2000 + 2.4396 -1.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1523 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7188 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1523 -0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.8646 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7189 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4364 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4364 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0104 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 2 5 2 0 0 0 + 3 6 2 0 0 0 + 4 7 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 + 6 9 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl210 + +> +0 + +> +1 + +$$$$ +Uracil + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 0 0 999 V2000 + 3.7124 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4252 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4252 0.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1458 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7092 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7092 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 2 5 2 0 0 0 + 3 6 2 0 0 0 + 4 7 1 0 0 0 + 7 8 2 0 0 0 + 6 7 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl211 + +> +0 + +> +1 + +$$$$ +Ribose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 14 0 0 0 999 V2000 + 3.6483 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6483 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6030 -2.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5685 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9582 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2479 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2479 -2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2479 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9582 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9582 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5685 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7706 -2.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5685 -3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6483 -3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 1 0 0 + 5 6 1 1 0 0 + 2 6 1 1 0 0 + 6 7 1 0 0 0 + 6 8 1 0 0 0 + 5 9 1 0 0 0 + 5 10 1 0 0 0 + 4 11 1 0 0 0 + 11 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl212 + +> +0 + +> +11 + +$$$$ +Deoxyribose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 14 0 0 0 999 V2000 + 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2 6 1 0 0 0 + 6 5 1 0 0 0 + 5 4 1 0 0 0 + 4 3 1 0 0 0 + 2 3 1 0 0 0 + 2 1 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 5 9 1 0 0 0 + 4 10 1 0 0 0 + 4 11 1 0 0 0 + 3 12 1 0 0 0 + 3 13 1 0 0 0 + 2 14 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl213 + +> +0 + +> +7 + +$$$$ +Ribose monophosphate + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 14.4831 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4831 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4073 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3426 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7437 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0710 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0710 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0710 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7437 -4.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7437 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3426 -4.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3426 -6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4831 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2261 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3520 -4.3001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4739 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3520 -3.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3520 -5.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 1 0 0 + 5 6 1 1 0 0 + 2 6 1 1 0 0 + 6 7 1 0 0 0 + 6 8 1 0 0 0 + 5 9 1 0 0 0 + 5 10 1 0 0 0 + 4 11 1 0 0 0 + 4 12 1 0 0 0 + 2 13 1 0 0 0 + 14 15 1 0 0 0 + 15 16 1 0 0 0 + 15 17 2 0 0 0 + 15 18 1 0 0 0 + 11 14 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl214 + +> +0 + +> +14 + +$$$$ +Deoxyribose monophosphate + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6579 -4.5909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7798 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6579 -3.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6579 -5.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2 6 1 0 0 0 + 6 5 1 0 0 0 + 5 4 1 0 0 0 + 4 3 1 0 0 0 + 2 3 1 0 0 0 + 2 1 1 0 0 0 + 5 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 9 11 2 0 0 0 + 9 12 1 0 0 0 + 5 13 1 0 0 0 + 4 14 1 0 0 0 + 4 15 1 0 0 0 + 3 16 1 0 0 0 + 3 17 1 0 0 0 + 2 18 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl215 + +> +0 + +> +9 + +$$$$ +Adenosine monophosphate + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 23 25 0 1 0 999 V2000 + 13.0195 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3520 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6070 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4320 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6869 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6070 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3520 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6869 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1983 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.9127 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.9127 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1983 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4838 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7568 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4838 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2376 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1983 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4320 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 5 1 0 0 0 + 2 3 1 1 0 0 + 2 7 1 0 0 0 + 3 4 1 1 0 0 + 3 6 1 0 0 0 + 5 4 1 1 0 0 + 5 9 1 0 0 0 + 7 8 1 0 0 0 + 14 9 1 0 0 0 + 9 17 1 0 0 0 + 10 11 2 0 0 0 + 10 16 1 0 0 0 + 10 18 1 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 + 16 14 2 0 0 0 + 15 16 1 0 0 0 + 15 17 2 0 0 0 + 4 19 1 0 0 0 + 8 20 1 0 0 0 + 20 21 2 0 0 0 + 20 22 1 0 0 0 + 20 23 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl216 + +> +22 + +> +24 + +$$$$ +Adenosine diphosphate + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 27 29 0 1 0 999 V2000 + 11.2820 -9.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6145 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8695 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6945 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9494 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8695 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6145 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9494 -9.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4608 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1752 -8.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1752 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4608 -9.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7463 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0193 -7.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7463 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5001 -8.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4608 -6.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6945 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9645 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9645 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9645 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1395 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3145 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3145 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3145 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 5 1 0 0 0 + 2 3 1 1 0 0 + 2 7 1 0 0 0 + 3 4 1 1 0 0 + 3 6 1 0 0 0 + 5 4 1 1 0 0 + 5 9 1 0 0 0 + 7 8 1 0 0 0 + 14 9 1 0 0 0 + 9 17 1 0 0 0 + 10 11 2 0 0 0 + 10 16 1 0 0 0 + 10 18 1 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 + 16 14 2 0 0 0 + 15 16 1 0 0 0 + 15 17 2 0 0 0 + 4 19 1 0 0 0 + 8 20 1 0 0 0 + 20 21 2 0 0 0 + 20 22 1 0 0 0 + 20 23 1 0 0 0 + 23 24 1 0 0 0 + 24 25 2 0 0 0 + 24 26 1 0 0 0 + 24 27 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl217 + +> +26 + +> +28 + +$$$$ +Adenosine triphosphate + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 31 33 0 1 0 999 V2000 + 14.6695 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0020 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2570 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0820 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3369 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2570 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0020 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3369 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8483 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.5627 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.5627 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8483 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1338 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4068 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1338 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8876 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8483 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0820 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 5 1 0 0 0 + 2 3 1 1 0 0 + 2 7 1 0 0 0 + 3 4 1 1 0 0 + 3 6 1 0 0 0 + 5 4 1 1 0 0 + 5 9 1 0 0 0 + 7 8 1 0 0 0 + 14 9 1 0 0 0 + 9 17 1 0 0 0 + 10 11 2 0 0 0 + 10 16 1 0 0 0 + 10 18 1 0 0 0 + 11 12 1 0 0 0 + 12 13 2 0 0 0 + 13 14 1 0 0 0 + 16 14 2 0 0 0 + 15 16 1 0 0 0 + 15 17 2 0 0 0 + 4 19 1 0 0 0 + 8 20 1 0 0 0 + 20 21 2 0 0 0 + 20 22 1 0 0 0 + 20 23 1 0 0 0 + 23 24 1 0 0 0 + 24 25 2 0 0 0 + 24 26 1 0 0 0 + 24 27 1 0 0 0 + 27 28 1 0 0 0 + 28 29 2 0 0 0 + 28 30 1 0 0 0 + 28 31 1 0 0 0 +M END +> +Nucleobases + +> +library.svg#tmpl218 + +> +30 + +> +32 + +$$$$ +Benzene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 0.6548 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0813 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3694 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0813 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6548 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3712 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 + 4 2 2 0 0 0 + 1 5 1 0 0 0 + 2 3 1 0 0 0 + 5 6 2 0 0 0 + 6 4 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl219 + +> +0 + +> +0 + +$$$$ +Boat + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 5.8944 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4777 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4166 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9277 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2722 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0277 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 1 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl220 + +> +3 + +> +2 + +$$$$ +Chair + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 8.5333 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1166 6.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9111 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2555 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0277 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6166 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 1 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl221 + +> +0 + +> +0 + +$$$$ +Chair1 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 4.9944 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7388 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2777 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4055 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5333 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1166 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 1 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl222 + +> +0 + +> +0 + +$$$$ +Chair2 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 10.4055 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6611 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1222 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9944 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8666 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2833 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 1 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl223 + +> +0 + +> +0 + +$$$$ +Chair3 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 5.0777 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4888 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2000 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8222 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3611 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3277 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0777 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4888 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2388 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6166 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8666 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2000 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3611 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7777 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8222 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4055 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6166 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7 15 1 0 0 0 + 15 13 1 0 0 0 + 13 8 1 0 0 0 + 8 18 1 0 0 0 + 18 12 1 0 0 0 + 12 7 1 0 0 0 + 1 7 1 0 0 0 + 8 2 1 0 0 0 + 12 3 1 0 0 0 + 15 4 1 0 0 0 + 5 13 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 10 18 1 0 0 0 + 11 12 1 0 0 0 + 13 14 1 0 0 0 + 15 16 1 0 0 0 + 17 18 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl224 + +> +0 + +> +5 + +$$$$ +Chair4 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 10.4888 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0777 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3666 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7444 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2055 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2388 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4888 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0777 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3277 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9500 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7000 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3666 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2055 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.7888 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7444 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1611 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9500 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7 15 1 0 0 0 + 15 13 1 0 0 0 + 13 8 1 0 0 0 + 8 18 1 0 0 0 + 18 12 1 0 0 0 + 12 7 1 0 0 0 + 1 7 1 0 0 0 + 8 2 1 0 0 0 + 12 3 1 0 0 0 + 15 4 1 0 0 0 + 5 13 1 0 0 0 + 6 7 1 0 0 0 + 8 9 1 0 0 0 + 10 18 1 0 0 0 + 11 12 1 0 0 0 + 13 14 1 0 0 0 + 15 16 1 0 0 0 + 17 18 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl225 + +> +0 + +> +5 + +$$$$ +Cyclopentadiene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.8091 8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6181 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 + 2 3 2 0 0 0 + 3 1 1 0 0 0 + 4 2 1 0 0 0 + 5 4 2 0 0 0 +M END +> +Rings + +> +library.svg#tmpl226 + +> +0 + +> +0 + +$$$$ +Cyclopentadiene + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 14.3500 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2160 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2160 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4840 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4840 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 2 0 0 0 + 4 5 2 0 0 0 + 5 1 1 0 0 0 + 4 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl227 + +> +0 + +> +0 + +$$$$ +Ring3 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 3 3 0 0 0 999 V2000 + 2.6123 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6098 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1111 2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl228 + +$$$$ +Ring4 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 4 4 0 0 0 999 V2000 + 3.4956 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4919 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4846 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4821 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 4 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl229 + +$$$$ +Ring5 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 3.3632 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3649 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0647 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6686 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.8751 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 5 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl230 + +$$$$ +Ring5 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 5 5 0 0 0 999 V2000 + 2.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1160 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1160 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3840 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3840 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 1 1 0 0 0 + 4 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl231 + +$$$$ +Ring6 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 6 6 0 0 0 999 V2000 + 2.5500 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5500 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4160 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2820 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2820 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4160 4.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 1 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl232 + +$$$$ +Ring7 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 7 7 0 0 0 999 V2000 + 21.4111 6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.1938 6.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.1653 6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.5987 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4166 5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.1660 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.1938 4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 6 1 0 0 0 + 1 5 1 0 0 0 + 5 7 1 0 0 0 + 6 7 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl233 + +> +0 + +> +0 + +$$$$ +Ring8 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 8 8 0 0 0 999 V2000 + 2.9268 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9270 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6288 3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6290 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6266 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3286 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3285 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6266 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 1 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 3 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl234 + +$$$$ +Ring9 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 9 9 0 0 0 999 V2000 + 2.7667 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5972 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0962 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5313 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5375 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2993 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4693 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0364 4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9746 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 1 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 8 3 1 0 0 0 + 8 9 1 0 0 0 + 9 7 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl235 + +$$$$ +Ring10 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 10 10 0 0 0 999 V2000 + 3.5215 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3132 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3132 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0493 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7854 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7854 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5215 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2575 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2575 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0493 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8 9 1 0 0 0 + 3 10 1 0 0 0 + 10 6 1 0 0 0 + 5 4 1 0 0 0 + 4 2 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 2 3 1 0 0 0 + 9 1 1 0 0 0 + 1 5 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl236 + +> +0 + +> +0 + +$$$$ +Ring11 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 11 11 0 0 0 999 V2000 + 3.7115 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6673 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8179 1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7664 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8179 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6382 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6721 4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4599 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5335 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5480 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4840 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 1 1 0 0 0 + 4 5 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl237 + +$$$$ +Ring12 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 12 12 0 0 0 999 V2000 + 3.7276 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.7247 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9441 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9082 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9040 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9232 3.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6929 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6906 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4660 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5063 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5162 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4980 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 3 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 11 12 1 0 0 0 + 12 1 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl238 + +> +0 + +> +0 + +$$$$ +Ring13 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 13 13 0 0 0 999 V2000 + 3.2666 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4574 4.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9755 4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.7213 3.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0441 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6650 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0441 2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7099 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9763 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6652 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0491 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6845 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9051 1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 13 1 0 0 0 + 1 2 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl239 + +> +0 + +> +12 + +$$$$ +Ring14 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 14 14 0 0 0 999 V2000 + 6.8995 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3539 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3678 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3685 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3883 2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9655 4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9885 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9602 4.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9932 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5727 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5892 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5971 4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6111 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0671 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 2 4 1 0 0 0 + 3 5 1 0 0 0 + 4 6 1 0 0 0 + 5 7 1 0 0 0 + 6 8 1 0 0 0 + 7 9 1 0 0 0 + 8 10 1 0 0 0 + 9 11 1 0 0 0 + 10 12 1 0 0 0 + 11 13 1 0 0 0 + 12 14 1 0 0 0 + 13 14 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl240 + +$$$$ +Ring15 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 15 15 0 0 0 999 V2000 + 6.3839 2.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0478 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0286 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6750 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6672 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3752 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.3912 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1293 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9384 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6710 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4746 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2796 4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1008 5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9121 4.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5968 3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 3 4 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 7 8 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 11 12 1 0 0 0 + 1 15 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl241 + +$$$$ +Ring16 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 16 16 0 0 0 999 V2000 + 5.3307 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8666 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4647 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8666 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0006 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0006 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8666 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7326 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5987 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7326 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5987 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4647 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3307 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1967 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1967 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3307 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9 3 1 0 0 0 + 3 1 1 0 0 0 + 1 13 1 0 0 0 + 10 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 2 1 0 0 0 + 2 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 12 11 1 0 0 0 + 11 10 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 15 16 1 0 0 0 + 16 12 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl242 + +> +0 + +> +1 + +$$$$ +Ring18 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 6.7675 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7675 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8338 2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9136 1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0241 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2362 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4295 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5501 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6379 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7034 3.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7024 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6366 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5561 5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4362 5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2239 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0336 5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9184 5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8307 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 3 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 3 4 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 10 11 1 0 0 0 + 7 8 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 11 12 1 0 0 0 + 16 17 1 0 0 0 + 17 18 1 0 0 0 + 15 16 1 0 0 0 + 1 18 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl243 + +> +0 + +> +0 + +$$$$ +Ring20 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 20 20 0 0 0 999 V2000 + 5.1641 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7000 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7000 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5660 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4320 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2980 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1641 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0301 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0301 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1641 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1641 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2980 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5660 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4320 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2980 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8339 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8339 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7000 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6999 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5660 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 2 1 0 0 0 + 5 4 1 0 0 0 + 4 3 1 0 0 0 + 7 1 1 0 0 0 + 1 6 1 0 0 0 + 6 5 1 0 0 0 + 10 8 1 0 0 0 + 8 9 1 0 0 0 + 9 7 1 0 0 0 + 12 11 1 0 0 0 + 11 10 1 0 0 0 + 20 13 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 15 12 1 0 0 0 + 2 16 1 0 0 0 + 16 17 1 0 0 0 + 17 18 1 0 0 0 + 18 19 1 0 0 0 + 19 20 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl244 + +> +13 + +> +13 + +$$$$ +Ring21 + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 21 21 0 0 0 999 V2000 + 13.0927 4.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7000 5.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7000 4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4537 6.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4631 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5095 7.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5428 7.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5875 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6370 7.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6419 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6614 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6675 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6235 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5583 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5110 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4619 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4601 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4049 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4047 4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4478 4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4480 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 3 1 0 0 0 + 2 10 1 0 0 0 + 3 11 1 0 0 0 + 17 19 1 0 0 0 + 18 4 1 0 0 0 + 4 5 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 7 8 1 0 0 0 + 8 9 1 0 0 0 + 9 10 1 0 0 0 + 11 12 1 0 0 0 + 12 13 1 0 0 0 + 13 14 1 0 0 0 + 14 15 1 0 0 0 + 15 16 1 0 0 0 + 16 17 1 0 0 0 + 19 20 1 0 0 0 + 20 1 1 0 0 0 + 1 21 1 0 0 0 + 21 18 1 0 0 0 +M END +> +Rings + +> +library.svg#tmpl245 + +> +0 + +> +0 + +$$$$ +alpha-D-Allopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -4.1124 6.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6076 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5974 5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4025 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5974 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3373 4.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9974 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2076 5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7775 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6076 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1476 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4025 4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1124 5.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7577 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7775 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9974 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8224 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 8 4 1 0 0 0 + 3 5 1 0 0 0 + 3 6 1 0 0 0 + 7 16 1 0 0 0 + 17 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl246 + +> +9 + +> +16 + +$$$$ +alpha-D-Altropyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -6.8433 4.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3385 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.3283 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.1334 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.3283 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.0682 2.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.7283 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9384 3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5084 3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3385 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8784 2.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.1334 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.8433 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4886 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5084 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.7283 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.5532 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 8 4 1 0 0 0 + 3 5 1 0 0 0 + 3 6 1 0 0 0 + 7 16 1 0 0 0 + 17 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl247 + +> +9 + +> +16 + +$$$$ +alpha-D-Galactopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -6.4899 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9851 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.9748 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.7800 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.9748 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -7.7148 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3749 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -7.1998 0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1550 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9851 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5250 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.7800 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.4899 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1352 0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1550 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3749 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5850 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 17 4 1 0 0 0 + 3 5 1 0 0 0 + 3 6 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl248 + +> +9 + +> +16 + +$$$$ +alpha-D-Glucopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -7.7107 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2094 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -8.1903 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.0088 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -8.1903 -0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8273 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -7.5674 -3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.3831 -2.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3908 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2094 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.7680 -2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -7.0088 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -7.7107 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3937 -2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3908 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.5674 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -8.8923 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 6 4 1 0 0 0 + 3 5 1 0 0 0 + 3 17 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl249 + +> +9 + +> +16 + +$$$$ +alpha-D-Gulopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -5.8152 3.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2901 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2952 2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1052 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2952 3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9101 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6702 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.5202 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4801 2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2901 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8551 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1052 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8152 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4651 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4801 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6702 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.0302 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 6 4 1 0 0 0 + 3 5 1 0 0 0 + 3 17 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl250 + +> +9 + +> +16 + +$$$$ +alpha-D-Idopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -6.0079 2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4782 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.4929 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2981 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.4929 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1031 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8630 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -6.6879 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6731 1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4782 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0431 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2981 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0079 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6533 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6731 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8630 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -7.2329 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 6 4 1 0 0 0 + 3 5 1 0 0 0 + 3 17 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl251 + +> +9 + +> +16 + +$$$$ +alpha-D-Mannopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -5.5581 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0527 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0375 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8565 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0375 1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.7441 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4199 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2352 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2339 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0527 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6161 -0.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8565 -0.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5581 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2325 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2339 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4199 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6705 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 17 4 1 0 0 0 + 3 5 1 0 0 0 + 3 6 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl252 + +> +9 + +> +16 + +$$$$ +alpha-D-Talopyranose + Ketcher 11161713142D 1 1.00000 0.00000 0 + + 17 17 0 1 0 999 V2000 + -6.3613 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8363 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.8414 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6514 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.8414 0.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -7.5764 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2164 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -7.0414 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0263 -0.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8363 -2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4013 -2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6514 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3613 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0113 -1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0263 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2164 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4562 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17 2 1 0 0 0 + 2 15 1 1 0 0 + 3 16 1 1 0 0 + 3 4 1 0 0 0 + 17 4 1 0 0 0 + 3 5 1 0 0 0 + 3 6 1 0 0 0 + 7 16 1 0 0 0 + 8 16 1 0 0 0 + 9 15 1 0 0 0 + 2 10 1 0 0 0 + 11 15 1 0 0 0 + 4 12 1 0 0 0 + 4 13 1 0 0 0 + 2 14 1 0 0 0 + 15 16 1 1 0 0 + 13 1 1 0 0 0 +M END +> +Sugars + +> +library.svg#tmpl253 + +> +9 + +> +16 + +$$$$ +fullerene C60 + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 60 90 0 0 0 999 V2000 + 8.1533 -10.1609 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5120 -9.2753 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7211 -9.6737 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4284 -7.8924 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6441 -6.9280 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8106 -9.6782 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0295 -8.7030 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9469 -7.3351 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6766 -11.1024 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1155 -11.5835 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9755 -10.1416 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8475 -11.1110 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6349 -10.8139 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1564 -11.7548 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9409 -11.4548 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6874 -10.9874 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0739 -8.9381 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7682 -9.8885 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6696 -9.0654 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0644 -10.9756 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3595 -11.3790 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7598 -9.2142 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0558 -9.6210 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3611 -10.6974 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4123 -6.6547 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8008 -6.5277 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8430 -7.9304 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6373 -7.6755 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6791 -7.8462 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0147 -5.5656 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0674 -5.7391 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8951 -6.8726 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9892 -7.4108 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5523 -6.1489 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6396 -8.3057 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7701 -5.7695 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7608 -5.0959 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3383 -5.8515 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3403 -5.1700 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5444 -4.7952 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5476 -6.3919 2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8535 -5.4411 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5858 -4.9664 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9810 -6.8781 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7114 -9.1401 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2717 -8.6582 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1904 -7.2758 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0632 -8.2456 3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2924 -9.8955 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9320 -10.7811 3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1480 -10.4012 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8614 -8.6206 4.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6340 -7.6127 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0720 -8.8741 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9055 -10.0226 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0361 -7.4850 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0254 -5.4466 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6379 -5.5719 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9380 -6.6611 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7278 -6.4079 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 1 3 1 0 0 0 0 + 1 12 1 0 0 0 0 + 2 4 1 0 0 0 0 + 2 6 1 0 0 0 0 + 3 11 2 0 0 0 0 + 3 35 1 0 0 0 0 + 4 5 2 0 0 0 0 + 4 33 1 0 0 0 0 + 5 8 1 0 0 0 0 + 5 38 1 0 0 0 0 + 6 7 2 0 0 0 0 + 6 13 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 54 1 0 0 0 0 + 8 59 2 0 0 0 0 + 9 10 2 0 0 0 0 + 9 11 1 0 0 0 0 + 9 20 1 0 0 0 0 + 10 12 1 0 0 0 0 + 10 14 1 0 0 0 0 + 11 19 1 0 0 0 0 + 12 13 2 0 0 0 0 + 13 16 1 0 0 0 0 + 14 15 2 0 0 0 0 + 14 21 1 0 0 0 0 + 15 16 1 0 0 0 0 + 15 50 1 0 0 0 0 + 16 55 2 0 0 0 0 + 17 18 1 0 0 0 0 + 17 19 2 0 0 0 0 + 17 28 1 0 0 0 0 + 18 20 2 0 0 0 0 + 18 22 1 0 0 0 0 + 19 27 1 0 0 0 0 + 20 21 1 0 0 0 0 + 21 24 2 0 0 0 0 + 22 23 2 0 0 0 0 + 22 29 1 0 0 0 0 + 23 24 1 0 0 0 0 + 23 46 1 0 0 0 0 + 24 51 1 0 0 0 0 + 25 26 1 0 0 0 0 + 25 27 2 0 0 0 0 + 25 36 1 0 0 0 0 + 26 28 2 0 0 0 0 + 26 30 1 0 0 0 0 + 27 35 1 0 0 0 0 + 28 29 1 0 0 0 0 + 29 32 2 0 0 0 0 + 30 31 2 0 0 0 0 + 30 37 1 0 0 0 0 + 31 32 1 0 0 0 0 + 31 42 1 0 0 0 0 + 32 47 1 0 0 0 0 + 33 34 1 0 0 0 0 + 33 35 2 0 0 0 0 + 34 36 2 0 0 0 0 + 34 38 1 0 0 0 0 + 36 37 1 0 0 0 0 + 37 40 2 0 0 0 0 + 38 39 2 0 0 0 0 + 39 40 1 0 0 0 0 + 39 58 1 0 0 0 0 + 40 43 1 0 0 0 0 + 41 42 1 0 0 0 0 + 41 44 2 0 0 0 0 + 41 47 1 0 0 0 0 + 42 43 2 0 0 0 0 + 43 57 1 0 0 0 0 + 44 48 1 0 0 0 0 + 44 60 1 0 0 0 0 + 45 46 1 0 0 0 0 + 45 48 2 0 0 0 0 + 45 51 1 0 0 0 0 + 46 47 2 0 0 0 0 + 48 52 1 0 0 0 0 + 49 50 1 0 0 0 0 + 49 52 2 0 0 0 0 + 49 55 1 0 0 0 0 + 50 51 2 0 0 0 0 + 52 56 1 0 0 0 0 + 53 54 2 0 0 0 0 + 53 56 1 0 0 0 0 + 53 59 1 0 0 0 0 + 54 55 1 0 0 0 0 + 56 60 2 0 0 0 0 + 57 58 2 0 0 0 0 + 57 60 1 0 0 0 0 + 58 59 1 0 0 0 0 +M END +> +3D Templates + +> +library.svg#tmpl254 + +> +18 + +> +34 + +$$$$ +adamantane + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 10 12 0 0 0 999 V2000 + 15.2172 -8.1314 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4398 -7.4133 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2919 -8.3429 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9004 -9.6792 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6785 -10.3958 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8276 -9.4680 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8081 -9.1570 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0325 -8.4390 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4215 -7.1042 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8828 -9.3683 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 4 10 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 2 9 1 0 0 0 0 + 1 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 5 6 1 0 0 0 0 + 8 10 1 0 0 0 0 + 2 3 1 0 0 0 0 +M END +> +3D Templates + +> +library.svg#tmpl255 + +> +1 + +> +0 +$$$$ +cubane + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 8 12 0 0 0 999 V2000 + 10.5569 -9.9029 4.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2017 -9.5628 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5825 -8.4868 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3483 -7.9339 4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9705 -9.0155 6.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3256 -9.3519 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2296 -8.1444 4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9966 -7.5972 5.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 1 1 0 0 0 0 + 1 6 1 0 0 0 0 + 2 5 1 0 0 0 0 + 7 2 1 0 0 0 0 + 3 4 1 0 0 0 0 + 7 3 1 0 0 0 0 + 4 6 1 0 0 0 0 + 8 4 1 0 0 0 0 + 5 6 1 0 0 0 0 + 8 5 1 0 0 0 0 + 8 7 1 0 0 0 0 +M END +> +0 + +> +0 + +> +3D Templates + +> +library.svg#tmpl256 + +$$$$ +ring 6 boat + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 11.2934 -7.8385 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2480 -6.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1209 -8.2282 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5795 -10.2283 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2777 -9.8706 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5448 -7.5081 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7930 -7.7993 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8567 -7.8369 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 + 14.7961 -6.3928 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0357 -7.4556 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 + 15.7535 -9.8351 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0584 -10.2582 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6187 -8.3063 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6881 -8.3653 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2260 -8.3597 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9985 -8.7537 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5364 -8.7481 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3614 -7.8158 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 7 1 0 0 0 0 + 3 16 1 0 0 0 0 + 4 16 1 0 0 0 0 + 5 14 1 0 0 0 0 + 6 14 1 0 0 0 0 + 7 14 1 0 0 0 0 + 7 16 1 0 0 0 0 + 8 18 1 0 0 0 0 + 9 18 1 0 0 0 0 + 10 15 1 0 0 0 0 + 11 15 1 0 0 0 0 + 12 17 1 0 0 0 0 + 13 17 1 0 0 0 0 + 14 15 1 0 0 0 0 + 15 18 1 0 0 0 0 + 16 17 1 0 0 0 0 + 17 18 1 0 0 0 0 + 1 7 1 0 0 0 0 +M END +> +0 + +> +17 + +> +3D Templates + +> +library.svg#tmpl257 + +$$$$ +ring 6 chair + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 18 18 0 0 0 999 V2000 + 6.4738 -5.6532 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4541 -4.2314 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2774 -5.9986 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7022 -8.0409 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4210 -7.7512 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7429 -5.4159 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0262 -7.2017 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0549 -8.6186 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6856 -6.5861 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7917 -7.4939 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0968 -5.1271 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1503 -6.5687 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3966 -6.2651 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5752 -7.1963 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8371 -4.7668 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2658 -6.7684 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8611 -6.2475 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9719 -5.6379 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2 18 1 0 0 0 0 + 3 12 1 0 0 0 0 + 4 12 1 0 0 0 0 + 5 17 1 0 0 0 0 + 6 17 1 0 0 0 0 + 7 14 1 0 0 0 0 + 8 14 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 11 1 0 0 0 0 + 9 12 1 0 0 0 0 + 9 14 1 0 0 0 0 + 12 18 1 0 0 0 0 + 13 14 1 0 0 0 0 + 13 15 1 0 0 0 0 + 13 16 1 0 0 0 0 + 13 17 1 0 0 0 0 + 17 18 1 0 0 0 0 + 1 18 1 0 0 0 0 +M END +> +0 + +> +17 + +> +3D Templates + +> +library.svg#tmpl258 + +$$$$ +ferrocene + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 21 30 0 0 0 999 V2000 + 10.7433 -4.6065 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1199 -5.2233 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8813 -5.4347 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9893 -4.9432 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0583 -4.4230 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8850 -5.0258 0.7924 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.5484 -4.7171 -0.5593 C 0 0 0 0 0 5 0 0 0 0 0 0 + 10.0737 -4.8235 -0.3755 C 0 0 0 0 0 5 0 0 0 0 0 0 + 10.3426 -5.1926 1.0905 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.9947 -5.3190 1.8095 C 0 0 0 0 0 4 0 0 0 0 0 0 + 9.0287 -7.2803 -0.0160 Fe 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8301 -9.3252 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4779 -9.9251 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9836 -10.0770 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0339 -9.5923 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1165 -9.0779 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1539 -9.5146 -0.7880 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.0210 -9.2478 -1.7601 C 0 0 0 0 0 5 0 0 0 0 0 0 + 7.7109 -9.3705 -0.9994 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.0440 -9.7186 0.4389 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.5495 -9.8067 0.5699 C 0 0 0 0 0 4 0 0 0 0 0 0 + 1 8 1 0 0 0 0 + 2 9 1 0 0 0 0 + 3 10 1 0 0 0 0 + 4 6 1 0 0 0 0 + 5 7 1 0 0 0 0 + 6 7 2 0 0 0 0 + 6 10 1 0 0 0 0 + 6 11 1 0 0 0 0 + 7 11 1 0 0 0 0 + 8 9 2 0 0 0 0 + 8 11 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 11 1 0 0 0 0 + 10 11 1 0 0 0 0 + 11 17 1 0 0 0 0 + 11 18 1 0 0 0 0 + 11 19 1 0 0 0 0 + 11 20 1 0 0 0 0 + 11 21 1 0 0 0 0 + 12 19 1 0 0 0 0 + 13 20 1 0 0 0 0 + 14 21 1 0 0 0 0 + 15 17 1 0 0 0 0 + 16 18 1 0 0 0 0 + 17 18 2 0 0 0 0 + 17 21 1 0 0 0 0 + 18 19 1 0 0 0 0 + 19 20 2 0 0 0 0 + 20 21 1 0 0 0 0 + 7 8 1 0 0 0 0 +M CHG 3 10 -1 11 2 21 -1 +M END +> +0 + +> +29 + +> +3D Templates + +> +library.svg#tmpl259 + +$$$$ +bis(benzene)chromium + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 25 36 0 0 0 999 V2000 + 6.4355 -9.0395 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9645 -9.0205 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8350 -9.9405 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6010 -8.0061 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5675 -9.9807 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6580 -7.9387 -3.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7133 -8.9130 -1.0583 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.4060 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.9460 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0 + 7.6316 -8.9131 -1.0546 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.9423 -8.3732 -2.2747 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.4043 -8.3734 -2.2720 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.1789 -6.5719 0.0084 Cr 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4896 -4.2075 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9323 -4.0735 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6895 -3.2859 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7804 -5.1073 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3721 -3.1694 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8953 -5.2543 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7017 -4.2171 0.9515 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.3254 -3.7502 -0.0765 C 0 0 0 0 0 5 0 0 0 0 0 0 + 9.8419 -3.7057 -0.1884 C 0 0 0 0 0 5 0 0 0 0 0 0 + 7.6652 -4.2995 1.1662 C 0 0 0 0 0 5 0 0 0 0 0 0 + 10.0444 -4.7658 2.2003 C 0 0 0 0 0 5 0 0 0 0 0 0 + 8.5286 -4.8076 2.3055 C 0 0 0 0 0 5 0 0 0 0 0 0 + 1 10 1 0 0 0 0 + 2 7 1 0 0 0 0 + 3 8 1 0 0 0 0 + 4 11 1 0 0 0 0 + 5 9 1 0 0 0 0 + 6 12 1 0 0 0 0 + 7 9 1 0 0 0 0 + 7 11 2 0 0 0 0 + 7 13 1 0 0 0 0 + 8 10 1 0 0 0 0 + 8 13 1 0 0 0 0 + 9 13 1 0 0 0 0 + 10 12 2 0 0 0 0 + 10 13 1 0 0 0 0 + 11 12 1 0 0 0 0 + 11 13 1 0 0 0 0 + 12 13 1 0 0 0 0 + 13 20 1 0 0 0 0 + 13 21 1 0 0 0 0 + 13 22 1 0 0 0 0 + 13 23 1 0 0 0 0 + 13 24 1 0 0 0 0 + 13 25 1 0 0 0 0 + 14 23 1 0 0 0 0 + 15 20 1 0 0 0 0 + 16 21 1 0 0 0 0 + 17 24 1 0 0 0 0 + 18 22 1 0 0 0 0 + 19 25 1 0 0 0 0 + 20 22 1 0 0 0 0 + 20 24 2 0 0 0 0 + 21 22 2 0 0 0 0 + 21 23 1 0 0 0 0 + 23 25 2 0 0 0 0 + 24 25 1 0 0 0 0 + 8 9 2 0 0 0 0 +M END +> +13 + +> +32 + +> +3D Templates + +> +library.svg#tmpl260 + +$$$$ +B12H12(2-) + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 24 42 0 0 0 999 V2000 + 12.4312 -3.2376 0.4439 B 0 0 0 0 0 6 0 0 0 0 0 0 + 16.4207 -5.8576 -0.2695 B 0 0 0 0 0 6 0 0 0 0 0 0 + 14.1001 -6.2706 3.8919 B 0 0 0 0 0 6 0 0 0 0 0 0 + 9.3404 -6.0750 2.9813 B 0 0 0 0 0 6 0 0 0 0 0 0 + 8.7969 -5.5378 -1.7981 B 0 0 0 0 0 6 0 0 0 0 0 0 + 13.1757 -5.4213 -3.7933 B 0 0 0 0 0 6 0 0 0 0 0 0 + 8.1864 -9.9878 0.2781 B 0 0 0 0 0 6 0 0 0 0 0 0 + 10.5209 -9.5795 -3.9123 B 0 0 0 0 0 6 0 0 0 0 0 0 + 15.2666 -9.7699 -2.9723 B 0 0 0 0 0 6 0 0 0 0 0 0 + 15.8533 -10.3140 1.7916 B 0 0 0 0 0 6 0 0 0 0 0 0 + 11.4884 -10.4352 3.7578 B 0 0 0 0 0 6 0 0 0 0 0 0 + 12.1760 -12.6074 -0.4354 B 0 0 0 0 0 6 0 0 0 0 0 0 + 12.4749 -1.7046 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8310 -5.1795 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6662 -5.7081 5.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3627 -5.4572 3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6209 -4.7599 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4468 -4.5890 -5.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8191 -10.6723 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9409 -10.1369 -5.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 + 16.2582 -10.3930 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 + 17.0014 -11.0826 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1894 -11.2582 5.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1461 -14.1455 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 1 4 1 0 0 0 0 + 1 5 1 0 0 0 0 + 1 6 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 6 1 0 0 0 0 + 2 9 1 0 0 0 0 + 2 10 1 0 0 0 0 + 2 14 1 0 0 0 0 + 3 4 1 0 0 0 0 + 3 10 1 0 0 0 0 + 3 11 1 0 0 0 0 + 3 15 1 0 0 0 0 + 4 5 1 0 0 0 0 + 4 7 1 0 0 0 0 + 4 11 1 0 0 0 0 + 4 16 1 0 0 0 0 + 5 6 1 0 0 0 0 + 5 7 1 0 0 0 0 + 5 8 1 0 0 0 0 + 5 17 1 0 0 0 0 + 6 8 1 0 0 0 0 + 6 9 1 0 0 0 0 + 6 18 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 11 1 0 0 0 0 + 7 12 1 0 0 0 0 + 7 19 1 0 0 0 0 + 8 9 1 0 0 0 0 + 8 12 1 0 0 0 0 + 8 20 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 12 1 0 0 0 0 + 9 21 1 0 0 0 0 + 10 11 1 0 0 0 0 + 10 12 1 0 0 0 0 + 10 22 1 0 0 0 0 + 11 12 1 0 0 0 0 + 11 23 1 0 0 0 0 + 12 24 1 0 0 0 0 + 1 13 1 0 0 0 0 +M CHG 2 1 -1 12 -1 +M END +> +12 + +> +0 + +> +3D Templates + +> +library.svg#tmpl261 + +$$$$ +vitamin B12 + Ketcher 3131814142D 1 1.00000 0.00000 0 + +103114 0 0 0 999 V2000 + 10.0126 -6.0489 -13.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2665 -4.8038 -15.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0719 -4.7946 -16.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8472 -5.1986 -15.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9546 -4.9961 -16.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.4802 -5.5205 -14.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.3257 -5.3477 -15.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.2452 -5.9492 -13.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.9757 -6.4703 -12.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.5273 -7.2118 -10.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.0197 -7.7946 -8.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.5538 -8.5006 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8115 -8.8424 -6.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3804 -8.3915 -7.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3227 -8.6564 -7.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7712 -8.1015 -8.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5465 -8.2236 -8.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6917 -7.9286 -10.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4134 -6.8953 -11.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6144 -6.7969 -11.5192 Co 0 0 0 0 0 6 0 0 0 0 0 0 + 12.2857 -5.9898 -13.6053 N 0 0 0 0 0 4 0 0 0 0 0 0 + 15.8974 -6.2784 -12.7299 N 0 0 0 0 0 4 0 0 0 0 0 0 + 14.9683 -7.6066 -9.4297 N 0 0 0 0 0 4 0 0 0 0 0 0 + 11.3583 -7.3147 -10.3330 N 0 0 0 0 0 3 0 0 0 0 0 0 + 13.6089 -4.2778 -10.6365 C 0 0 0 0 0 4 0 0 0 0 0 0 + 9.5801 -8.7584 -13.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4453 -2.8614 -14.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4101 -5.8354 -16.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1634 -2.8242 -17.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3864 -5.7747 -18.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5249 -7.0185 -16.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7675 -3.5479 -15.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.4569 -10.0661 -7.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.4052 -7.9169 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8156 -7.2528 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 + 15.7237 -10.7118 -5.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9023 -10.1564 -7.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7957 -6.6276 -6.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9087 -6.6565 -10.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0783 -9.8969 -11.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5150 -4.2054 -18.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7364 -9.4165 -5.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5533 -10.7271 -8.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9804 -5.8129 -10.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6757 -11.3323 -13.1820 N 0 0 0 0 0 4 0 0 0 0 0 0 + 12.8841 -12.0634 -13.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5374 -11.8140 -13.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3354 -12.8901 -13.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2952 -13.0084 -13.3833 N 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5439 -11.4691 -13.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.2732 -12.1354 -13.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0710 -13.2114 -14.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0926 -13.5594 -13.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.2799 -11.7879 -14.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.7994 -13.8782 -14.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8380 -13.7498 -13.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9307 -14.2220 -12.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5996 -14.2426 -12.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7574 -15.0262 -10.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5040 -14.9970 -10.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2774 -15.6088 -12.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7189 -11.9931 -14.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6269 -15.5329 -15.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6856 -17.1207 -10.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3152 -17.1087 -8.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0383 -13.2992 -8.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7202 -15.8056 -13.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7327 -12.3458 -12.9365 P 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7235 -12.3118 -12.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7534 -13.6586 -12.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5577 -13.4895 -11.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4710 -13.0662 -12.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7849 -11.8224 -15.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.7267 -12.4339 -11.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2585 -14.6633 -11.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2011 -14.0490 -11.8767 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2182 -12.9593 -10.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3586 -11.2160 -12.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1340 -13.0039 -9.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5516 -7.1810 -10.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2010 -6.3792 -10.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4260 -8.3234 -10.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6452 -3.0804 -15.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2828 -2.3624 -15.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3796 -4.2070 -15.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6112 -4.4140 -18.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5579 -2.8834 -18.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9350 -1.8793 -18.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5332 -1.9770 -18.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.6329 -2.8548 -15.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.4644 -3.4580 -15.4721 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.6644 -2.1519 -15.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 + 20.3112 -4.5349 -12.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 + 20.3404 -7.4169 -13.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.0913 -8.6322 -13.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.6425 -9.7675 -13.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1661 -10.6445 -13.9755 N 0 0 0 0 0 0 0 0 0 0 0 0 + 19.7050 -10.3118 -14.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.5025 -11.2248 -5.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7454 -12.5808 -5.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1068 -13.4968 -5.8671 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.9107 -13.2774 -5.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5851 -2.8203 -10.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 19 1 0 0 0 0 + 1 21 1 0 0 0 0 + 1 26 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 27 1 0 0 0 0 + 2 28 1 0 0 0 0 + 3 4 1 0 0 0 0 + 3 29 1 0 0 0 0 + 3 30 1 0 0 0 0 + 4 5 1 0 0 0 0 + 4 21 2 0 0 0 0 + 5 6 2 0 0 0 0 + 5 41 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 22 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 31 1 0 0 0 0 + 7 32 1 0 0 0 0 + 8 9 1 0 0 0 0 + 8 93 1 0 0 0 0 + 8 94 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 22 2 0 0 0 0 + 10 11 2 0 0 0 0 + 11 12 1 0 0 0 0 + 11 23 1 0 0 0 0 + 12 13 1 0 0 0 0 + 12 33 1 0 0 0 0 + 12 34 1 0 0 0 0 + 13 14 1 0 0 0 0 + 13 35 1 0 0 0 0 + 13 36 1 0 0 0 0 + 14 15 1 0 0 0 0 + 14 23 2 0 0 0 0 + 15 16 2 0 0 0 0 + 15 42 1 0 0 0 0 + 16 17 1 0 0 0 0 + 16 24 1 0 0 0 0 + 17 18 1 0 0 0 0 + 17 37 1 0 0 0 0 + 17 38 1 0 0 0 0 + 18 19 1 0 0 0 0 + 18 39 1 0 0 0 0 + 18 40 1 0 0 0 0 + 19 24 1 0 0 0 0 + 19 44 1 0 0 0 0 + 20 21 1 0 0 0 0 + 20 22 1 0 0 0 0 + 20 23 1 0 0 0 0 + 20 24 1 0 0 0 0 + 20 25 1 0 0 0 0 + 20 45 1 0 0 0 0 + 25103 3 0 0 0 0 + 27 83 1 0 0 0 0 + 30 86 1 0 0 0 0 + 32 90 1 0 0 0 0 + 36 99 1 0 0 0 0 + 37 43 1 0 0 0 0 + 39 80 1 0 0 0 0 + 43 77 1 0 0 0 0 + 45 46 2 0 0 0 0 + 45 47 1 0 0 0 0 + 46 49 1 0 0 0 0 + 47 48 2 0 0 0 0 + 47 50 1 0 0 0 0 + 48 49 1 0 0 0 0 + 48 53 1 0 0 0 0 + 49 58 1 0 0 0 0 + 50 51 2 0 0 0 0 + 51 52 1 0 0 0 0 + 51 54 1 0 0 0 0 + 52 53 2 0 0 0 0 + 52 55 1 0 0 0 0 + 56 57 1 0 0 0 0 + 56 58 1 0 0 0 0 + 56 62 1 0 0 0 0 + 56 63 1 0 0 0 0 + 57 60 1 0 0 0 0 + 57 67 1 0 0 0 0 + 57 69 1 0 0 0 0 + 58 59 1 0 0 0 0 + 58 61 1 0 0 0 0 + 59 60 1 0 0 0 0 + 60 64 1 0 0 0 0 + 60 66 1 0 0 0 0 + 64 65 1 0 0 0 0 + 68 69 1 0 0 0 0 + 68 70 1 0 0 0 0 + 68 73 2 0 0 0 0 + 68 78 1 0 0 0 0 + 70 71 1 0 0 0 0 + 71 72 1 0 0 0 0 + 71 74 1 0 0 0 0 + 71 75 1 0 0 0 0 + 72 76 1 0 0 0 0 + 76 77 1 0 0 0 0 + 77 79 2 0 0 0 0 + 80 81 1 0 0 0 0 + 80 82 2 0 0 0 0 + 83 85 2 0 0 0 0 + 86 87 1 0 0 0 0 + 87 88 1 0 0 0 0 + 87 89 2 0 0 0 0 + 90 91 1 0 0 0 0 + 90 92 2 0 0 0 0 + 94 95 1 0 0 0 0 + 95 96 1 0 0 0 0 + 96 97 1 0 0 0 0 + 96 98 2 0 0 0 0 + 99100 1 0 0 0 0 +100101 1 0 0 0 0 +100102 2 0 0 0 0 + 83 84 1 0 0 0 0 +M CHG 4 20 3 24 -1 25 -1 78 -1 +M END +> +83 + +> +113 + +> +3D Templates + +> +library.svg#tmpl262 + +$$$$ +sucrose + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 31 32 0 0 0 999 V2000 + 5.2890 -7.5286 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6624 -5.1211 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2941 -5.7056 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9494 -7.5048 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0481 -8.2707 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2890 -4.4624 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3001 -5.0862 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.1244 -4.8497 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5502 -3.7821 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2117 -6.2026 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3725 -5.8284 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3225 -6.4586 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2839 -6.9390 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5059 -7.2324 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5117 -6.1824 -4.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2609 -5.5788 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9153 -6.8782 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4269 -6.7225 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3241 -8.0774 2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1140 -7.8468 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3110 -9.0856 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5240 -8.9610 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7799 -10.1548 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8853 -8.7670 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6894 -7.6334 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4355 -6.9446 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0396 -5.5329 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4050 -5.2699 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7885 -9.0951 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1875 -10.4160 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0011 -11.7179 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 12 1 0 0 0 0 + 2 12 1 0 0 0 0 + 3 10 1 0 0 0 0 + 4 10 1 0 0 0 0 + 5 13 1 0 0 0 0 + 6 16 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 1 0 0 0 0 + 7 10 1 0 0 0 0 + 7 16 1 0 0 0 0 + 10 12 1 0 0 0 0 + 11 13 1 0 0 0 0 + 11 16 1 0 0 0 0 + 12 13 1 0 0 0 0 + 13 14 1 0 0 0 0 + 14 15 1 0 0 0 0 + 16 17 1 0 0 0 0 + 17 26 1 0 0 0 0 + 18 25 1 0 0 0 0 + 19 25 1 0 0 0 0 + 20 26 1 0 0 0 0 + 20 29 1 0 0 0 0 + 21 29 1 0 0 0 0 + 22 23 1 0 0 0 0 + 22 24 1 0 0 0 0 + 22 25 1 0 0 0 0 + 22 29 1 0 0 0 0 + 25 26 1 0 0 0 0 + 26 27 1 0 0 0 0 + 29 30 1 0 0 0 0 + 30 31 1 0 0 0 0 + 27 28 1 0 0 0 0 +M END +> +20 + +> +22 + +> +3D Templates + +> +library.svg#tmpl263 + +$$$$ +Mo7O24 + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 31 42 0 0 0 999 V2000 + 8.3825 -6.6288 0.5307 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0566 -8.0054 0.0391 O 0 0 0 0 0 2 0 0 0 0 0 0 + 9.6225 -7.1718 1.1905 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.4634 -4.7037 0.3717 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7036 -5.2443 1.0328 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.5457 -2.7785 0.2130 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3026 -2.2284 -0.4344 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.8689 -1.3946 0.7160 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.7859 -3.3192 0.8741 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.8935 -5.8337 -1.3972 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5257 -7.2356 -1.8700 O 0 0 0 0 0 2 0 0 0 0 0 0 + 9.1639 -6.3573 -0.7629 O 0 0 0 0 0 2 0 0 0 0 0 0 + 8.6584 -5.5970 -2.7259 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.9618 -3.8926 -1.5768 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6757 -3.3420 -2.2214 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.6072 -5.3104 -2.0267 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.3276 -2.5064 -1.0793 O 0 0 0 0 0 2 0 0 0 0 0 0 + 8.2454 -4.4322 -0.9197 O 0 0 0 0 0 3 0 0 0 0 0 0 + 7.7257 -3.6594 -2.9288 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.3294 -6.3423 1.1548 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9769 -7.6983 0.6446 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.5984 -6.9043 1.8353 O 0 0 0 0 0 2 0 0 0 0 0 0 + 5.5195 -6.6078 2.4374 O 0 0 0 0 0 2 0 0 0 0 0 0 + 7.1374 -6.0780 -0.1178 O 0 0 0 0 0 4 0 0 0 0 0 0 + 5.4562 -4.4102 0.9865 Mo 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1170 -5.7537 0.4947 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.6789 -4.9771 1.6760 O 0 0 0 0 0 3 0 0 0 0 0 0 + 4.2276 -3.8981 0.3645 O 0 0 0 0 0 2 0 0 0 0 0 0 + 5.7599 -3.0518 1.5169 O 0 0 0 0 0 2 0 0 0 0 0 0 + 4.6888 -4.6683 2.2585 O 0 0 0 0 0 2 0 0 0 0 0 0 + 6.2191 -4.1522 -0.2765 O 0 0 0 0 0 4 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 1 3 2 0 0 0 0 + 1 5 1 0 0 0 0 + 1 12 1 0 0 0 0 + 1 22 1 0 0 0 0 + 1 24 1 0 0 0 0 + 4 5 1 0 0 0 0 + 4 9 1 0 0 0 0 + 4 18 1 0 0 0 0 + 4 24 1 0 0 0 0 + 4 27 1 0 0 0 0 + 4 31 1 0 0 0 0 + 6 7 2 0 0 0 0 + 6 8 2 0 0 0 0 + 6 9 1 0 0 0 0 + 6 17 1 0 0 0 0 + 6 29 1 0 0 0 0 + 6 31 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 12 1 0 0 0 0 + 10 13 2 0 0 0 0 + 10 16 1 0 0 0 0 + 10 18 1 0 0 0 0 + 10 24 1 0 0 0 0 + 14 15 2 0 0 0 0 + 14 16 1 0 0 0 0 + 14 17 1 0 0 0 0 + 14 18 1 0 0 0 0 + 14 19 2 0 0 0 0 + 14 31 1 0 0 0 0 + 20 21 2 0 0 0 0 + 20 22 1 0 0 0 0 + 20 24 1 0 0 0 0 + 20 26 1 0 0 0 0 + 20 27 1 0 0 0 0 + 25 26 1 0 0 0 0 + 25 27 1 0 0 0 0 + 25 28 2 0 0 0 0 + 25 29 1 0 0 0 0 + 25 30 2 0 0 0 0 + 25 31 1 0 0 0 0 + 20 23 2 0 0 0 0 +M CHG 8 1 6 2 -2 3 -2 4 6 5 -2 6 6 7 -2 8 -2 +M END +> +1 + +> +0 + +> +3D Templates + +> +library.svg#tmpl264 + +$$$$ +C20H20 + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 40 50 0 0 0 999 V2000 + 7.5483 -7.7451 -3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3984 -5.8792 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3399 -6.5425 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6820 -3.9425 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8163 -7.1034 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5722 -4.7343 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1701 -7.2380 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8300 -6.9765 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6631 -7.1690 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4077 -9.5239 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9006 -10.0139 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6600 -8.8749 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5136 -5.9115 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5338 -7.8406 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6981 -8.8654 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4046 -10.6907 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3185 -9.3106 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4958 -10.8075 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5552 -7.8780 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8522 -9.1147 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1601 -8.2997 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5774 -7.5989 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6577 -4.0099 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0808 -6.4894 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9123 -5.4699 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9155 -8.2329 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0766 -7.5513 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6780 -6.9857 3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5861 -5.8939 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9973 -5.0597 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3193 -5.8429 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4740 -4.7173 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9809 -7.1457 1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8270 -6.1245 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0023 -5.4308 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9125 -8.9385 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2374 -9.3522 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4116 -8.6461 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7726 -9.9758 -2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2577 -7.6250 -1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 40 1 0 0 0 0 + 2 3 1 0 0 0 0 + 3 9 1 0 0 0 0 + 3 25 1 0 0 0 0 + 3 40 1 0 0 0 0 + 4 25 1 0 0 0 0 + 5 7 1 0 0 0 0 + 6 29 1 0 0 0 0 + 7 21 1 0 0 0 0 + 7 29 1 0 0 0 0 + 7 40 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 24 1 0 0 0 0 + 9 38 1 0 0 0 0 + 10 38 1 0 0 0 0 + 11 12 1 0 0 0 0 + 12 17 1 0 0 0 0 + 12 27 1 0 0 0 0 + 12 38 1 0 0 0 0 + 13 24 1 0 0 0 0 + 14 27 1 0 0 0 0 + 15 26 1 0 0 0 0 + 16 17 1 0 0 0 0 + 17 26 1 0 0 0 0 + 17 37 1 0 0 0 0 + 18 37 1 0 0 0 0 + 19 22 1 0 0 0 0 + 20 21 1 0 0 0 0 + 21 22 1 0 0 0 0 + 21 37 1 0 0 0 0 + 22 26 1 0 0 0 0 + 22 34 1 0 0 0 0 + 23 35 1 0 0 0 0 + 24 27 1 0 0 0 0 + 24 35 1 0 0 0 0 + 25 29 1 0 0 0 0 + 25 35 1 0 0 0 0 + 26 33 1 0 0 0 0 + 27 33 1 0 0 0 0 + 28 33 1 0 0 0 0 + 29 34 1 0 0 0 0 + 30 34 1 0 0 0 0 + 31 32 1 0 0 0 0 + 31 33 1 0 0 0 0 + 31 35 1 0 0 0 0 + 36 37 1 0 0 0 0 + 36 38 1 0 0 0 0 + 36 39 1 0 0 0 0 + 36 40 1 0 0 0 0 + 31 34 1 0 0 0 0 +M END +> +19 + +> +27 + +> +3D Templates + +> +library.svg#tmpl265 + +$$$$ +Co4CO12 + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 28 33 0 0 0 999 V2000 + 11.5119 -6.3872 0.2843 Co 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2537 -5.1567 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1271 -4.1574 -1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1405 -4.5859 2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6477 -4.5559 1.3649 O 0 0 0 0 0 3 0 0 0 0 0 0 + 10.9606 -3.0390 -2.8593 O 0 0 0 0 0 3 0 0 0 0 0 0 + 9.4644 -3.6875 3.6182 O 0 0 0 0 0 3 0 0 0 0 0 0 + 10.6811 -11.2763 3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1263 -9.1532 3.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6597 -11.9110 3.5304 O 0 0 0 0 0 3 0 0 0 0 0 0 + 11.3435 -8.7342 4.0978 O 0 0 0 0 0 3 0 0 0 0 0 0 + 8.4053 -7.8212 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9144 -10.0973 -2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1429 -7.1175 -2.4596 O 0 0 0 0 0 3 0 0 0 0 0 0 + 7.4262 -10.5365 -2.9426 O 0 0 0 0 0 3 0 0 0 0 0 0 + 14.0567 -9.1427 -1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7234 -11.1613 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5969 -8.6889 -1.7190 O 0 0 0 0 0 3 0 0 0 0 0 0 + 14.0925 -11.7138 -2.1238 O 0 0 0 0 0 3 0 0 0 0 0 0 + 7.8227 -9.3450 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6523 -9.0552 2.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6963 -10.0134 2.2132 Co 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6352 -10.5336 1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6119 -11.0927 3.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9779 -10.0343 -1.2076 Co 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1257 -9.3771 -3.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9140 -9.2088 -1.3937 Co 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3211 -9.1075 -6.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 1 4 1 0 0 0 0 + 1 22 1 0 0 0 0 + 1 25 1 0 0 0 0 + 1 27 1 0 0 0 0 + 2 5 3 0 0 0 0 + 4 7 3 0 0 0 0 + 8 10 3 0 0 0 0 + 8 22 1 0 0 0 0 + 9 11 3 0 0 0 0 + 9 22 1 0 0 0 0 + 12 14 3 0 0 0 0 + 12 27 1 0 0 0 0 + 13 15 3 0 0 0 0 + 13 27 1 0 0 0 0 + 16 18 3 0 0 0 0 + 16 25 1 0 0 0 0 + 17 19 3 0 0 0 0 + 17 25 1 0 0 0 0 + 20 21 2 0 0 0 0 + 20 22 1 0 0 0 0 + 20 27 1 0 0 0 0 + 22 23 1 0 0 0 0 + 22 25 1 0 0 0 0 + 22 27 1 0 0 0 0 + 23 24 2 0 0 0 0 + 23 25 1 0 0 0 0 + 25 26 1 0 0 0 0 + 25 27 1 0 0 0 0 + 26 27 1 0 0 0 0 + 26 28 2 0 0 0 0 + 3 6 3 0 0 0 0 +M END +> +0 + +> +4 + +> +3D Templates + +> +library.svg#tmpl266 + +$$$$ +FeCO5 + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 11 10 0 0 0 999 V2000 + 10.8202 -7.3426 0.0023 Fe 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9246 -7.3587 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7011 -7.0667 -1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7827 -7.6197 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8213 -5.0591 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8193 -9.6084 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4397 -6.8395 -2.8953 O 0 0 0 0 0 3 0 0 0 0 0 0 + 12.5339 -7.8271 2.8412 O 0 0 0 0 0 3 0 0 0 0 0 0 + 7.4162 -7.3784 0.0570 O 0 0 0 0 0 3 0 0 0 0 0 0 + 10.8213 -3.5367 0.5648 O 0 0 0 0 0 3 0 0 0 0 0 0 + 10.8194 -11.1133 -0.5606 O 0 0 0 0 0 3 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 1 4 1 0 0 0 0 + 1 5 1 0 0 0 0 + 1 6 1 0 0 0 0 + 2 9 3 0 0 0 0 + 3 7 3 0 0 0 0 + 4 8 3 0 0 0 0 + 6 11 3 0 0 0 0 + 5 10 3 0 0 0 0 +M END +> +0 + +> +0 + +> +3D Templates + +> +library.svg#tmpl267 + +$$$$ +Chlorophyll A + Ketcher 3131814142D 1 1.00000 0.00000 0 + + 71 79 0 0 0 999 V2000 + 11.3221 -15.0514 -29.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2305 -13.9637 -30.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1059 -13.0987 -31.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2769 -12.0678 -31.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0261 -10.6405 -32.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4490 -9.5603 -33.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3289 -8.2505 -34.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7498 -7.5990 -34.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7441 -8.4574 -33.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4825 -8.0571 -33.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5957 -9.1542 -32.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1341 -8.8838 -32.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7396 -10.0405 -31.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.5583 -11.0170 -30.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.7584 -12.4631 -29.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3808 -13.5626 -29.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5088 -14.8558 -28.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0728 -15.5355 -28.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0058 -16.8885 -27.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0886 -14.6273 -29.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7585 -13.1416 -30.2471 N 0 0 0 0 0 3 0 0 0 0 0 0 + 10.9009 -12.4760 -31.3615 N 0 0 0 0 0 4 0 0 0 0 0 0 + 12.0949 -9.9691 -32.6922 N 0 0 0 0 0 3 0 0 0 0 0 0 + 14.9259 -10.6395 -31.5603 N 0 0 0 0 0 4 0 0 0 0 0 0 + 12.9186 -11.5362 -31.4724 Mg 0 0 0 0 0 4 0 0 0 0 0 0 + 13.5390 -18.2856 -26.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3880 -15.6838 -31.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9642 -12.3313 -30.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4960 -13.7478 -32.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8210 -7.6311 -35.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1900 -6.0441 -35.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9034 -5.4078 -35.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.0857 -7.4693 -32.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.4839 -10.2094 -30.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.7720 -11.1118 -31.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.0404 -15.4632 -27.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1151 -16.6720 -27.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3024 -16.5936 -28.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2137 -18.6651 -30.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6234 -17.6524 -29.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8802 -17.6043 -29.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7110 -18.5710 -29.6384 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6710 -14.2462 -30.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2457 -14.2569 -29.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0077 -15.0783 -28.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7950 -14.5946 -25.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4992 -15.1614 -27.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7321 -14.3398 -28.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6748 -12.8007 -28.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2254 -14.4258 -27.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9849 -15.2471 -27.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0404 -16.7958 -27.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5187 -15.3305 -26.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7162 -14.5115 -26.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6570 -12.9703 -26.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1160 -12.3347 -25.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4772 -12.8605 -23.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8305 -13.0506 -25.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4219 -12.9260 -26.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1490 -10.7913 -25.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8590 -10.0255 -25.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5716 -7.7185 -25.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0884 -8.2829 -27.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8731 -8.4769 -25.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6206 -8.2171 -24.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5885 -6.1725 -25.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7089 -5.4213 -26.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7165 -3.8688 -26.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0177 -1.5849 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0177 -3.1249 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3102 -3.9011 -26.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 20 2 0 0 0 0 + 1 38 1 0 0 0 0 + 2 22 2 0 0 0 0 + 2 43 1 0 0 0 0 + 3 4 1 0 0 0 0 + 3 28 1 0 0 0 0 + 3 29 1 0 0 0 0 + 3 43 1 0 0 0 0 + 4 5 2 0 0 0 0 + 4 22 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 2 0 0 0 0 + 6 23 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 30 1 0 0 0 0 + 8 9 2 0 0 0 0 + 8 31 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 23 1 0 0 0 0 + 10 11 2 0 0 0 0 + 11 12 1 0 0 0 0 + 11 24 1 0 0 0 0 + 12 13 2 0 0 0 0 + 12 33 1 0 0 0 0 + 13 14 1 0 0 0 0 + 13 34 1 0 0 0 0 + 14 15 1 0 0 0 0 + 14 24 2 0 0 0 0 + 15 16 2 0 0 0 0 + 16 17 1 0 0 0 0 + 16 21 1 0 0 0 0 + 17 18 2 0 0 0 0 + 17 36 1 0 0 0 0 + 18 19 1 0 0 0 0 + 18 20 1 0 0 0 0 + 19 26 2 0 0 0 0 + 19 38 1 0 0 0 0 + 20 21 1 0 0 0 0 + 21 25 1 0 0 0 0 + 22 25 1 0 0 0 0 + 23 25 1 0 0 0 0 + 24 25 1 0 0 0 0 + 27 43 1 0 0 0 0 + 31 32 2 0 0 0 0 + 34 35 1 0 0 0 0 + 37 38 1 0 0 0 0 + 38 41 1 0 0 0 0 + 39 40 1 0 0 0 0 + 40 41 1 0 0 0 0 + 41 42 2 0 0 0 0 + 43 44 1 0 0 0 0 + 44 45 1 0 0 0 0 + 45 48 1 0 0 0 0 + 46 53 1 0 0 0 0 + 46 58 1 0 0 0 0 + 47 48 1 0 0 0 0 + 47 50 1 0 0 0 0 + 48 49 2 0 0 0 0 + 50 51 1 0 0 0 0 + 51 52 1 0 0 0 0 + 51 54 2 0 0 0 0 + 53 54 1 0 0 0 0 + 54 55 1 0 0 0 0 + 56 57 1 0 0 0 0 + 56 58 1 0 0 0 0 + 56 59 1 0 0 0 0 + 56 60 1 0 0 0 0 + 60 61 1 0 0 0 0 + 61 64 1 0 0 0 0 + 62 63 1 0 0 0 0 + 62 64 1 0 0 0 0 + 62 65 1 0 0 0 0 + 62 66 1 0 0 0 0 + 66 67 1 0 0 0 0 + 67 68 1 0 0 0 0 + 68 70 1 0 0 0 0 + 70 71 1 0 0 0 0 + 69 70 1 0 0 0 0 +M CHG 3 21 -1 23 -1 25 2 +M END +> +31 + +> +44 + +> +3D Templates + +> +library.svg#tmpl268 + +$$$$ diff --git a/app/static/ketcher/library.svg b/app/static/ketcher/library.svg new file mode 100644 index 0000000..aee1cee --- /dev/null +++ b/app/static/ketcher/library.svg @@ -0,0 +1 @@ +Created with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0NNHNNHCreated with Raphaël 2.2.0NNNNHNNNNHCreated with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOCreated with Raphaël 2.2.0OHOHOHOOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0CH2Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0CH2Created with Raphaël 2.2.0CH2Created with Raphaël 2.2.0CH2Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0OOOOCreated with Raphaël 2.2.0OOOOCreated with Raphaël 2.2.0OOOOCreated with Raphaël 2.2.0OOOOOCreated with Raphaël 2.2.0OOOOOCreated with Raphaël 2.2.0OOOOOCreated with Raphaël 2.2.0OOOOOOCreated with Raphaël 2.2.0OOOOOOCreated with Raphaël 2.2.0OOOOOOOCreated with Raphaël 2.2.0OOOOOOOOCreated with Raphaël 2.2.0OOOOOOOOOCreated with Raphaël 2.2.0OOOOOOOOOOCreated with Raphaël 2.2.0CH3NH2OOHCreated with Raphaël 2.2.0NH2NHNH2NHOOHCreated with Raphaël 2.2.0NH2NH2OOOHCreated with Raphaël 2.2.0NH2OHOOOHCreated with Raphaël 2.2.0NH2SHOOHCreated with Raphaël 2.2.0NH2NH2OOOHCreated with Raphaël 2.2.0NH2OHOOOHCreated with Raphaël 2.2.0NH2OHOCreated with Raphaël 2.2.0NH2NHNOOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0NH2NH2OOHCreated with Raphaël 2.2.0CH3SNH2OOHCreated with Raphaël 2.2.0NH2OOHCreated with Raphaël 2.2.0ONHOHCreated with Raphaël 2.2.0NH2OHOOHCreated with Raphaël 2.2.0CH3OHNH2OOHCreated with Raphaël 2.2.0NH2NHOOHCreated with Raphaël 2.2.0NH2OHOOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHCreated with Raphaël 2.2.0OHOOHOHCreated with Raphaël 2.2.0OHOHOOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOHOOHOHOHCreated with Raphaël 2.2.0OOHOHOHOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0OHOHOOHOHOHCreated with Raphaël 2.2.0OHOHOOHOHOHCreated with Raphaël 2.2.0OHOOHOHOHOHCreated with Raphaël 2.2.0OHOOHOHCreated with Raphaël 2.2.0OOHOHOHOHCreated with Raphaël 2.2.0OHOHOHOHOCreated with Raphaël 2.2.0ONNCreated with Raphaël 2.2.0OOCreated with Raphaël 2.2.0OCreated with Raphaël 2.2.0NHNCreated with Raphaël 2.2.0NHCreated with Raphaël 2.2.0NCreated with Raphaël 2.2.0ONCreated with Raphaël 2.2.0ONHCreated with Raphaël 2.2.0ONCreated with Raphaël 2.2.0NHNHCreated with Raphaël 2.2.0NHCreated with Raphaël 2.2.0NNNHNCreated with Raphaël 2.2.0OCreated with Raphaël 2.2.0NNCreated with Raphaël 2.2.0NHNCreated with Raphaël 2.2.0NNCreated with Raphaël 2.2.0NCreated with Raphaël 2.2.0NHOCreated with Raphaël 2.2.0NNCreated with Raphaël 2.2.0NHCreated with Raphaël 2.2.0OOCreated with Raphaël 2.2.0NHCreated with Raphaël 2.2.0NCreated with Raphaël 2.2.0OCreated with Raphaël 2.2.0SCreated with Raphaël 2.2.0NHNNNCreated with Raphaël 2.2.0SCreated with Raphaël 2.2.0NNNCreated with Raphaël 2.2.0NHNNCreated with Raphaël 2.2.0CH3NH2OOHCreated with Raphaël 2.2.0NH2NHNH2NHOOHCreated with Raphaël 2.2.0NH2NH2OOOHCreated with Raphaël 2.2.0NH2OHOOOHCreated with Raphaël 2.2.0NH2SHOOHCreated with Raphaël 2.2.0NH2NH2OOOHCreated with Raphaël 2.2.0NH2OHOOOHCreated with Raphaël 2.2.0NH2OHOCreated with Raphaël 2.2.0NH2NHNOOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0NH2NH2OOHCreated with Raphaël 2.2.0CH3SNH2OOHCreated with Raphaël 2.2.0NH2OOHCreated with Raphaël 2.2.0ONHOHCreated with Raphaël 2.2.0NH2OHOOHCreated with Raphaël 2.2.0CH3OHNH2OOHCreated with Raphaël 2.2.0NH2NHOOHCreated with Raphaël 2.2.0NH2OHOOHCreated with Raphaël 2.2.0CH3CH3NH2OOHCreated with Raphaël 2.2.0NHNNNNH2Created with Raphaël 2.2.0NHNONH2Created with Raphaël 2.2.0NHNNNHONH2Created with Raphaël 2.2.0NHNHOOCH3Created with Raphaël 2.2.0NHNHOOCreated with Raphaël 2.2.0OHOHOHHOHOHHHCreated with Raphaël 2.2.0OHOOHHHOHHHHCreated with Raphaël 2.2.0OHOHOHHOHHHOPOHOOHCreated with Raphaël 2.2.0OHOOPOHOOHHHOHHHHCreated with Raphaël 2.2.0OOHONNNNNH2OHPOOHOHCreated with Raphaël 2.2.0OOHONNNNNH2OHPOOHOPOOHOHCreated with Raphaël 2.2.0OOHONNNNNH2OHPOOHOPOOHOPOOHOHCreated with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3Created with Raphaël 2.2.0CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3CH3Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0OHHOHOHOHOHOHHHHCreated with Raphaël 2.2.0OHHOHOHOOHOHHHHHCreated with Raphaël 2.2.0OHOHHHOHHOHOHHHOCreated with Raphaël 2.2.0OHHOHOHHOHOHHHOHCreated with Raphaël 2.2.0OHOHOOHHHOHOHHHHCreated with Raphaël 2.2.0OHOHOOHHOHOHHHHHCreated with Raphaël 2.2.0OHHOHHOHOHOHHHHOCreated with Raphaël 2.2.0OHOHHHOHOHOHHHHOCreated with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0Created with Raphaël 2.2.0HHHHHHHHHHHHCreated with Raphaël 2.2.0HHHHHHHHHHHHCreated with Raphaël 2.2.0HHHHHC(V)C(V)C(V)C(V)C–(IV)Fe2+HHHHHC(V)C(V)C(V)C(V)C–(IV)Created with Raphaël 2.2.0HHHHHHC(V)C(V)C(V)C(V)C(V)C(V)CrHHHHHHC(V)C(V)C(V)C(V)C(V)C(V)Created with Raphaël 2.2.0B–(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B(VI)B–(VI)HHHHHHHHHHHHCreated with Raphaël 2.2.0Co3+(VI)N(IV)N(IV)N(IV)N–(III)C–(IV)CH3CH3HCH3CH3CH3HCH3HCH3CH3HN(IV)NCH3CH3OHOHHOHHHPOOOHCH3NHO–ONH2ONH2ONH2ONH2OHNH2ONH2ONCreated with Raphaël 2.2.0OHHOHHHHOHHOOHOHOHOHHOHOHOHCreated with Raphaël 2.2.0Mo6+O2–(II)O2–(II)Mo6+O2–(II)Mo6+O2–(II)O2–(II)O(II)MoO(II)O(II)O(II)MoO(II)O(II)O(II)O(III)O(II)MoO(II)O(II)O(II)O(IV)MoO(II)O(III)O(II)O(II)O(II)O(IV)Created with Raphaël 2.2.0HHHHHHHHHHHHHHHHHHHHCreated with Raphaël 2.2.0CoO(III)O(III)O(III)O(III)O(III)O(III)O(III)O(III)O(III)OCoOCoCoOCreated with Raphaël 2.2.0FeO(III)O(III)O(III)O(III)O(III)Created with Raphaël 2.2.0N–(III)N(IV)N–(III)N(IV)Mg2+(IV)OHHCH3CH3CH2CH3CH3CH3HCH3OOOOHCH3HCH3HCH3CH3CH3 diff --git a/app/static/ketcher/logo/apple-touch-icon.png b/app/static/ketcher/logo/apple-touch-icon.png new file mode 100644 index 0000000..b1e8a31 Binary files /dev/null and b/app/static/ketcher/logo/apple-touch-icon.png differ diff --git a/app/static/ketcher/logo/favicon-16x16.png b/app/static/ketcher/logo/favicon-16x16.png new file mode 100644 index 0000000..b273a31 Binary files /dev/null and b/app/static/ketcher/logo/favicon-16x16.png differ diff --git a/app/static/ketcher/logo/favicon-32x32.png b/app/static/ketcher/logo/favicon-32x32.png new file mode 100644 index 0000000..c6778ee Binary files /dev/null and b/app/static/ketcher/logo/favicon-32x32.png differ diff --git a/app/static/ketcher/logo/favicon.ico b/app/static/ketcher/logo/favicon.ico new file mode 100644 index 0000000..87c2d93 Binary files /dev/null and b/app/static/ketcher/logo/favicon.ico differ diff --git a/app/static/ketcher/logo/ketcher-logo.svg b/app/static/ketcher/logo/ketcher-logo.svg new file mode 100644 index 0000000..30316de --- /dev/null +++ b/app/static/ketcher/logo/ketcher-logo.svg @@ -0,0 +1 @@ +Ketcher logo -- cgit v1.2.3