REMARK  Name = BDB002037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.619   0.484   2.559  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.666   0.889   2.325  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -1.875   0.134   2.529  0.00  0.00    +0.152 C 
ATOM      4  C   LIG    1       -0.560   2.164   1.815  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1        0.716   2.500   1.771  0.00  0.00    -0.132 NA
ATOM      6  N   LIG    1        1.454   1.445   2.246  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        1.048  -1.077   3.163  0.00  0.00    -0.075 S 
BRANCH   7   8
ATOM      8  C   LIG    1        2.860  -1.012   3.029  0.00  0.00    +0.197 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.389  -0.907   1.615  0.00  0.00    +0.317 C 
ATOM     10  O   LIG    1        4.483  -0.417   1.352  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        2.580  -1.509   0.700  0.00  0.00    -0.464 OA
BRANCH  11  13
ATOM     12  C   LIG    1        3.909  -2.601  -1.001  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        3.008  -1.428  -0.666  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.688   3.012   1.349  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -1.956   2.699  -0.037  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1       -1.192   2.839  -0.688  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -2.998   1.883  -0.410  0.00  0.00    +0.218 C 
ATOM     18  O   LIG    1       -3.821   1.438   0.386  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.038   1.559  -1.892  0.00  0.00    +0.130 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.166   0.380  -2.244  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -1.012   0.549  -3.022  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -0.210  -0.548  -3.342  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.550  -1.820  -2.887  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.693  -1.999  -2.110  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.498  -0.905  -1.791  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 9