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REMARK Name =
REMARK 9 active torsions:
REMARK status: ('A' for Active; 'I' for Inactive)
REMARK 1 A between atoms: C_3 and O_40
REMARK 2 A between atoms: C_6 and C_7
REMARK 3 A between atoms: C_14 and C_20
REMARK 4 A between atoms: C_15 and O_19
REMARK 5 A between atoms: C_17 and O_18
REMARK 6 A between atoms: C_21 and O_39
REMARK 7 A between atoms: C_24 and C_26
REMARK 8 A between atoms: C_31 and O_38
REMARK 9 A between atoms: C_33 and O_37
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C UNL 1 -3.340 -1.154 0.694 0.00 0.00 +0.000 A
ATOM 2 C UNL 1 -3.772 -2.001 1.632 0.00 0.00 +0.000 A
ATOM 3 C UNL 1 -5.209 -2.336 1.679 0.00 0.00 +0.000 A
ATOM 4 O UNL 1 -5.590 -3.177 2.483 0.00 0.00 +0.000 OA
ATOM 5 C UNL 1 -6.103 -1.595 0.749 0.00 0.00 +0.000 A
ATOM 6 C UNL 1 -5.513 -0.726 -0.181 0.00 0.00 +0.000 A
ATOM 7 O UNL 1 -4.143 -0.593 -0.270 0.00 0.00 +0.000 OA
ATOM 8 C UNL 1 -6.282 0.058 -1.084 0.00 0.00 +0.000 A
ATOM 9 C UNL 1 -7.679 -0.082 -1.002 0.00 0.00 +0.000 A
ATOM 10 C UNL 1 -8.280 -0.967 -0.109 0.00 0.00 +0.000 A
ATOM 11 C UNL 1 -7.497 -1.717 0.767 0.00 0.00 +0.000 A
ENDROOT
BRANCH 1 17
ATOM 12 C UNL 1 -1.358 0.209 1.392 0.00 0.00 +0.000 A
ATOM 13 C UNL 1 -0.037 0.628 1.188 0.00 0.00 +0.000 A
ATOM 14 C UNL 1 0.708 0.067 0.156 0.00 0.00 +0.000 A
ATOM 15 C UNL 1 0.158 -0.906 -0.670 0.00 0.00 +0.000 A
ATOM 16 C UNL 1 -1.161 -1.319 -0.472 0.00 0.00 +0.000 A
ATOM 17 C UNL 1 -1.931 -0.766 0.560 0.00 0.00 +0.000 A
BRANCH 14 18
ATOM 18 O UNL 1 1.991 0.454 -0.094 0.00 0.00 +0.000 OA
ATOM 19 H UNL 1 2.227 1.175 0.511 0.00 0.00 +0.000 HD
ENDBRANCH 14 18
ENDBRANCH 1 17
BRANCH 8 20
ATOM 20 C UNL 1 -5.634 1.009 -2.030 0.00 0.00 +0.000 A
ATOM 21 C UNL 1 -5.954 1.126 -3.392 0.00 0.00 +0.000 A
ATOM 22 C UNL 1 -5.327 2.069 -4.207 0.00 0.00 +0.000 A
ATOM 23 C UNL 1 -4.358 2.927 -3.684 0.00 0.00 +0.000 A
ATOM 24 C UNL 1 -3.997 2.849 -2.336 0.00 0.00 +0.000 A
ATOM 25 C UNL 1 -4.647 1.892 -1.538 0.00 0.00 +0.000 A
BRANCH 24 26
ATOM 26 C UNL 1 -3.010 3.759 -1.708 0.00 0.00 +0.000 A
ATOM 27 C UNL 1 -2.018 4.336 -2.401 0.00 0.00 +0.000 A
ATOM 28 C UNL 1 -1.083 5.223 -1.699 0.00 0.00 +0.000 A
ATOM 29 O UNL 1 -0.180 5.808 -2.294 0.00 0.00 +0.000 OA
ATOM 30 C UNL 1 -1.269 5.394 -0.256 0.00 0.00 +0.000 A
ATOM 31 C UNL 1 -0.413 6.194 0.508 0.00 0.00 +0.000 A
ATOM 32 C UNL 1 -0.624 6.341 1.876 0.00 0.00 +0.000 A
ATOM 33 C UNL 1 -1.697 5.682 2.472 0.00 0.00 +0.000 A
ATOM 34 C UNL 1 -2.553 4.881 1.723 0.00 0.00 +0.000 A
ATOM 35 C UNL 1 -2.335 4.739 0.352 0.00 0.00 +0.000 A
ATOM 36 O UNL 1 -3.207 3.943 -0.344 0.00 0.00 +0.000 OA
BRANCH 33 37
ATOM 37 O UNL 1 -1.945 5.802 3.808 0.00 0.00 +0.000 OA
ATOM 38 H UNL 1 -1.298 6.416 4.195 0.00 0.00 +0.000 HD
ENDBRANCH 33 37
BRANCH 31 39
ATOM 39 O UNL 1 0.654 6.862 -0.028 0.00 0.00 +0.000 OA
ATOM 40 H UNL 1 0.669 6.690 -0.998 0.00 0.00 +0.000 HD
ENDBRANCH 31 39
ENDBRANCH 24 26
BRANCH 21 41
ATOM 41 O UNL 1 -6.912 0.378 -4.020 0.00 0.00 +0.000 OA
ATOM 42 H UNL 1 -7.323 -0.250 -3.400 0.00 0.00 +0.000 HD
ENDBRANCH 21 41
ENDBRANCH 8 20
BRANCH 9 43
ATOM 43 O UNL 1 -8.550 0.623 -1.790 0.00 0.00 +0.000 OA
ATOM 44 H UNL 1 -8.106 1.408 -2.164 0.00 0.00 +0.000 HD
ENDBRANCH 9 43
BRANCH 11 45
ATOM 45 O UNL 1 -8.124 -2.556 1.641 0.00 0.00 +0.000 OA
ATOM 46 H UNL 1 -9.081 -2.571 1.474 0.00 0.00 +0.000 HD
ENDBRANCH 11 45
TORSDOF 9
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