REMARK  Name = BDB003104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.986  -0.009   1.631  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -0.477  -1.070   2.355  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.490  -2.021   2.342  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.303  -3.238   2.997  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.081  -3.399   3.628  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        0.911  -2.477   3.642  0.00  0.00    -0.261 NA
ATOM      7  N   LIG    1       -2.578  -1.568   1.641  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1        0.731  -1.298   2.999  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1       -2.251  -0.364   1.232  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -0.305   1.258   1.417  0.00  0.00    +0.183 C 
BRANCH  10  15
ATOM     11  C   LIG    1        2.671   0.766  -0.460  0.00  0.00    +0.228 A 
ATOM     12  O   LIG    1        1.881   1.076  -1.536  0.00  0.00    -0.440 OA
ATOM     13  C   LIG    1        0.646   1.313  -1.000  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -0.427   1.675  -1.943  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1        0.735   1.132   0.365  0.00  0.00    +0.102 A 
ATOM     16  N   LIG    1        2.034   0.800   0.696  0.00  0.00    -0.212 NA
BRANCH  11  20
ATOM     17  C   LIG    1        6.782  -0.193  -1.201  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        6.251  -0.283   0.084  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.906   0.034   0.313  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        4.069   0.445  -0.735  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.612   0.531  -2.023  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        5.956   0.216  -2.251  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        8.945  -0.916  -0.533  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        8.071  -0.469  -1.562  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  11  20
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   9  25
ATOM     25  S   LIG    1       -3.281   0.665   0.295  0.00  0.00    -0.083 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.806  -0.327   0.269  0.00  0.00    +0.115 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.879   0.346  -0.544  0.00  0.00    -0.002 A 
ATOM     28  C   LIG    1       -6.806   1.196   0.067  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1       -6.751   1.406   1.390  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.796   1.839  -0.672  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -7.869   1.638  -2.050  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -6.949   0.799  -2.679  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.958   0.157  -1.932  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 7