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REMARK  Name = 
REMARK  17 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C_6  and  O_8
REMARK    2  A    between atoms: O_8  and  C_9
REMARK    3  A    between atoms: C_9  and  C_11
REMARK    4  A    between atoms: C_13  and  O_19
REMARK    5  A    between atoms: C_14  and  O_18
REMARK    6  A    between atoms: C_15  and  O_17
REMARK    7  A    between atoms: C_25  and  O_44
REMARK    8  A    between atoms: C_26  and  O_43
REMARK    9  A    between atoms: C_34  and  O_39
REMARK   10  A    between atoms: C_35  and  O_36
REMARK   11  A    between atoms: C_35  and  O_37
REMARK   12  A    between atoms: C_50  and  O_68
REMARK   13  A    between atoms: C_51  and  O_67
REMARK   14  A    between atoms: C_52  and  O_66
REMARK   15  A    between atoms: C_55  and  O_65
REMARK   16  A    between atoms: C_56  and  O_64
REMARK   17  A    between atoms: C_57  and  O_63
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      11.634  -2.680  -2.116  0.00  0.00    +0.000 C 
ATOM      2  C   UNL     1      10.528  -2.319  -1.078  0.00  0.00    +0.000 C 
ATOM      3  C   UNL     1       9.083  -2.550  -1.533  0.00  0.00    +0.000 C 
ATOM      4  C   UNL     1       9.094  -4.035  -1.944  0.00  0.00    +0.000 C 
ATOM      5  C   UNL     1       8.993  -4.808  -0.659  0.00  0.00    +0.000 C 
ATOM      6  C   UNL     1      10.278  -4.465   0.167  0.00  0.00    +0.000 C 
ATOM      7  O   UNL     1      10.667  -3.057   0.167  0.00  0.00    +0.000 OA
ATOM      8  O   UNL     1       7.811  -4.287  -0.022  0.00  0.00    +0.000 OA
ATOM      9  C   UNL     1       6.958  -5.161   0.510  0.00  0.00    +0.000 C 
ATOM     10  O   UNL     1       7.126  -6.342   0.732  0.00  0.00    +0.000 OA
ATOM     11  C   UNL     1       5.737  -4.413   0.806  0.00  0.00    +0.000 A 
ATOM     12  C   UNL     1       5.366  -4.370   2.157  0.00  0.00    +0.000 A 
ATOM     13  C   UNL     1       4.140  -3.831   2.497  0.00  0.00    +0.000 A 
ATOM     14  C   UNL     1       3.268  -3.405   1.503  0.00  0.00    +0.000 A 
ATOM     15  C   UNL     1       3.662  -3.399   0.166  0.00  0.00    +0.000 A 
ATOM     16  C   UNL     1       4.946  -3.837  -0.210  0.00  0.00    +0.000 A 
ATOM     17  C   UNL     1       5.448  -3.570  -1.651  0.00  0.00    +0.000 C 
ATOM     18  C   UNL     1       6.195  -2.233  -1.681  0.00  0.00    +0.000 C 
ATOM     19  C   UNL     1       5.546  -1.083  -1.424  0.00  0.00    +0.000 C 
ATOM     20  C   UNL     1       4.056  -1.086  -1.520  0.00  0.00    +0.000 C 
ATOM     21  O   UNL     1       3.491  -0.010  -1.300  0.00  0.00    +0.000 OA
ATOM     22  C   UNL     1       3.293  -2.393  -1.925  0.00  0.00    +0.000 C 
ATOM     23  C   UNL     1       4.214  -3.474  -2.568  0.00  0.00    +0.000 C 
ATOM     24  O   UNL     1       2.733  -2.946  -0.735  0.00  0.00    +0.000 OA
ATOM     25  C   UNL     1       7.160  -1.908  -2.759  0.00  0.00    +0.000 C 
ATOM     26  O   UNL     1       6.651  -1.773  -3.871  0.00  0.00    +0.000 OA
ATOM     27  O   UNL     1       8.492  -1.718  -2.531  0.00  0.00    +0.000 OA
ATOM     28  O   UNL     1       8.121  -4.247  -2.957  0.00  0.00    +0.000 OA
ATOM     29  C   UNL     1       8.424  -5.235  -3.816  0.00  0.00    +0.000 C 
ATOM     30  O   UNL     1       8.981  -6.273  -3.530  0.00  0.00    +0.000 OA
ATOM     31  C   UNL     1       7.737  -4.948  -5.080  0.00  0.00    +0.000 A 
ATOM     32  C   UNL     1       6.695  -5.903  -5.285  0.00  0.00    +0.000 A 
ATOM     33  C   UNL     1       5.876  -5.822  -6.389  0.00  0.00    +0.000 A 
ATOM     34  C   UNL     1       6.116  -4.828  -7.310  0.00  0.00    +0.000 A 
ATOM     35  C   UNL     1       7.151  -3.897  -7.118  0.00  0.00    +0.000 A 
ATOM     36  C   UNL     1       7.994  -3.859  -5.968  0.00  0.00    +0.000 A 
ATOM     37  C   UNL     1       8.970  -2.666  -5.816  0.00  0.00    +0.000 A 
ATOM     38  C   UNL     1       8.519  -1.329  -6.062  0.00  0.00    +0.000 A 
ATOM     39  C   UNL     1       9.367  -0.210  -6.031  0.00  0.00    +0.000 A 
ATOM     40  C   UNL     1      10.728  -0.357  -5.936  0.00  0.00    +0.000 A 
ATOM     41  C   UNL     1      11.253  -1.618  -5.807  0.00  0.00    +0.000 A 
ATOM     42  C   UNL     1      10.377  -2.715  -5.553  0.00  0.00    +0.000 A 
ATOM     43  C   UNL     1      10.976  -3.458  -4.410  0.00  0.00    +0.000 C 
ATOM     44  O   UNL     1      11.286  -4.616  -4.347  0.00  0.00    +0.000 OA
ATOM     45  O   UNL     1      11.111  -2.488  -3.446  0.00  0.00    +0.000 OA
ENDROOT
BRANCH  14  46
ATOM     46  O   UNL     1       2.032  -2.934   1.847  0.00  0.00    +0.000 OA
ATOM     47  H   UNL     1       1.994  -2.990   2.822  0.00  0.00    +0.000 HD
ENDBRANCH  14  46
BRANCH  23  48
ATOM     48  O   UNL     1       3.603  -4.778  -2.599  0.00  0.00    +0.000 OA
ATOM     49  H   UNL     1       2.702  -4.674  -2.231  0.00  0.00    +0.000 HD
ENDBRANCH  23  48
BRANCH  23  50
ATOM     50  O   UNL     1       4.435  -3.175  -3.946  0.00  0.00    +0.000 OA
ATOM     51  H   UNL     1       5.246  -2.642  -4.065  0.00  0.00    +0.000 HD
ENDBRANCH  23  50
BRANCH  22  52
ATOM     52  O   UNL     1       2.234  -2.122  -2.846  0.00  0.00    +0.000 OA
ATOM     53  H   UNL     1       2.530  -2.464  -3.714  0.00  0.00    +0.000 HD
ENDBRANCH  22  52
BRANCH  33  54
ATOM     54  O   UNL     1       4.836  -6.676  -6.608  0.00  0.00    +0.000 OA
ATOM     55  H   UNL     1       4.730  -7.253  -5.829  0.00  0.00    +0.000 HD
ENDBRANCH  33  54
BRANCH  13  56
ATOM     56  O   UNL     1       3.745  -3.705   3.796  0.00  0.00    +0.000 OA
ATOM     57  H   UNL     1       4.491  -3.944   4.376  0.00  0.00    +0.000 HD
ENDBRANCH  13  56
BRANCH  40  58
ATOM     58  O   UNL     1      11.544   0.726  -5.811  0.00  0.00    +0.000 OA
ATOM     59  H   UNL     1      10.933   1.489  -5.764  0.00  0.00    +0.000 HD
ENDBRANCH  40  58
BRANCH  39  60
ATOM     60  O   UNL     1       8.842   1.055  -6.044  0.00  0.00    +0.000 OA
ATOM     61  H   UNL     1       7.874   0.896  -6.088  0.00  0.00    +0.000 HD
ENDBRANCH  39  60
BRANCH  38  62
ATOM     62  O   UNL     1       7.207  -0.952  -6.277  0.00  0.00    +0.000 OA
ATOM     63  H   UNL     1       6.651  -1.746  -6.227  0.00  0.00    +0.000 HD
ENDBRANCH  38  62
BRANCH  35  64
ATOM     64  O   UNL     1       7.279  -2.956  -8.115  0.00  0.00    +0.000 OA
ATOM     65  H   UNL     1       6.587  -3.175  -8.775  0.00  0.00    +0.000 HD
ENDBRANCH  35  64
BRANCH  34  66
ATOM     66  O   UNL     1       5.318  -4.715  -8.419  0.00  0.00    +0.000 OA
ATOM     67  H   UNL     1       4.665  -5.442  -8.329  0.00  0.00    +0.000 HD
ENDBRANCH  34  66
BRANCH   6  68
ATOM     68  O   UNL     1      10.038  -4.858   1.528  0.00  0.00    +0.000 OA
BRANCH  68  69
ATOM     69  C   UNL     1      10.039  -6.198   1.719  0.00  0.00    +0.000 C 
ATOM     70  O   UNL     1      10.425  -7.025   0.908  0.00  0.00    +0.000 OA
BRANCH  69  71
ATOM     71  C   UNL     1       9.443  -6.553   3.032  0.00  0.00    +0.000 A 
ATOM     72  C   UNL     1       9.485  -7.904   3.422  0.00  0.00    +0.000 A 
ATOM     73  C   UNL     1       8.897  -8.289   4.621  0.00  0.00    +0.000 A 
ATOM     74  C   UNL     1       8.253  -7.348   5.416  0.00  0.00    +0.000 A 
ATOM     75  C   UNL     1       8.195  -6.018   5.022  0.00  0.00    +0.000 A 
ATOM     76  C   UNL     1       8.795  -5.604   3.840  0.00  0.00    +0.000 A 
BRANCH  75  77
ATOM     77  O   UNL     1       7.523  -5.110   5.790  0.00  0.00    +0.000 OA
ATOM     78  H   UNL     1       7.254  -5.618   6.585  0.00  0.00    +0.000 HD
ENDBRANCH  75  77
BRANCH  74  79
ATOM     79  O   UNL     1       7.653  -7.719   6.588  0.00  0.00    +0.000 OA
ATOM     80  H   UNL     1       7.809  -8.686   6.644  0.00  0.00    +0.000 HD
ENDBRANCH  74  79
BRANCH  73  81
ATOM     81  O   UNL     1       8.916  -9.584   5.056  0.00  0.00    +0.000 OA
ATOM     82  H   UNL     1       9.380 -10.125   4.391  0.00  0.00    +0.000 HD
ENDBRANCH  73  81
ENDBRANCH  69  71
ENDBRANCH  68  69
ENDBRANCH   6  68
TORSDOF 17