REMARK  Name = BDB003696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.013  -1.411   2.098  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1        0.589  -0.134   2.627  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.192  -2.553   2.969  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        2.524  -1.201   1.198  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1        3.136   0.030   1.044  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.757   1.407   1.510  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        3.870   2.285   0.921  0.00  0.00    +0.224 C 
ATOM      8  N   LIG    1        4.766   1.434   0.283  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        5.911   1.842  -0.503  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1        7.039   0.800  -0.508  0.00  0.00    +0.066 C 
ATOM     11  S   LIG    1        6.466  -0.824  -1.167  0.00  0.00    -0.119 S 
ATOM     12  C   LIG    1        4.952  -0.987  -0.252  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.329  -2.226  -0.096  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        8.223   1.279  -1.342  0.00  0.00    +0.021 C 
ATOM     15  O   LIG    1        3.941   3.501   0.998  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.329   0.111   0.326  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        3.128  -2.337   0.630  0.00  0.00    +0.030 A 
ENDBRANCH   1   4
BRANCH   1  21
ATOM     18  N   LIG    1       -2.736  -0.780   0.007  0.00  0.00    -0.327 N 
ATOM     19  C   LIG    1       -2.504  -1.259   1.382  0.00  0.00    +0.122 C 
ATOM     20  C   LIG    1       -1.408  -2.339   1.414  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1       -0.093  -1.848   0.873  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.267  -0.831  -0.223  0.00  0.00    +0.128 C 
ATOM     23  C   LIG    1       -1.625  -0.950  -0.942  0.00  0.00    +0.122 C 
BRANCH  18  27
ATOM     24  C   LIG    1       -6.532   0.664  -1.202  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -5.636   0.147  -2.139  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.381  -0.330  -1.735  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -3.976  -0.313  -0.392  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -4.896   0.213   0.529  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -6.155   0.696   0.140  0.00  0.00    +0.013 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -8.823   1.734  -0.672  0.00  0.00    +0.091 C 
ATOM     31  C   LIG    1       -7.857   1.162  -1.676  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -8.144   1.101  -2.870  0.00  0.00    -0.292 OA
ENDBRANCH  24  31
ENDBRANCH  18  27
ENDBRANCH   1  21
TORSDOF 4