REMARK  Name = BDB003700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.937   0.719   0.121  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.629   1.909   0.731  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -2.839   1.913   0.943  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.813   3.087   1.096  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.553   3.131   0.825  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.303   4.261   1.176  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.685   5.345   1.802  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.681   5.304   2.075  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.218   2.001   0.155  0.00  0.00    +0.211 C 
ATOM     10  O   LIG    1        2.388   2.079  -0.202  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.431   4.179   1.724  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.386   0.800  -0.093  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -4.885  -2.361   0.153  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -3.611  -2.700  -0.480  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.505  -2.716   0.505  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -2.037  -1.325   0.993  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1       -1.678  -0.456  -0.165  0.00  0.00    -0.323 N 
ATOM     18  C   LIG    1       -2.822  -0.351  -1.110  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -3.278  -1.756  -1.569  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
BRANCH  12  20
ATOM     20  N   LIG    1        0.967  -0.393  -0.651  0.00  0.00    -0.211 N 
ATOM     21  H   LIG    1        0.216  -1.043  -0.919  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.932  -1.222   0.478  0.00  0.00    +0.073 S 
ATOM     23  O   LIG    1        1.290  -2.510   0.658  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        2.218  -0.385   1.624  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.426  -1.482  -0.439  0.00  0.00    +0.108 A 
ATOM     26  C   LIG    1        4.439  -0.521  -0.398  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        5.626  -0.741  -1.096  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.802  -1.921  -1.821  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.794  -2.887  -1.848  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        3.603  -2.672  -1.153  0.00  0.00    +0.029 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  12  20
TORSDOF 4