REMARK  Name = BDB003512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.453  -3.471  -0.300  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1        1.882  -2.554   0.591  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.528  -2.641   0.929  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.238  -3.709   0.407  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -1.700  -3.887   0.727  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1        0.363  -4.641  -0.461  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.703  -4.524  -0.818  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -0.107  -1.688   1.762  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -1.097  -1.844   1.944  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        0.432  -0.529   2.306  0.00  0.00    +0.235 C 
ATOM     11  O   LIG    1        1.597  -0.153   2.216  0.00  0.00    -0.274 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -0.581   0.281   3.118  0.00  0.00    +0.214 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -1.625   0.788   2.253  0.00  0.00    -0.215 N 
ATOM     14  C   LIG    1       -1.649   2.035   1.696  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1       -0.827   2.923   1.871  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1       -2.884   2.130   0.781  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -2.474   2.258  -0.688  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1       -2.677   3.734  -0.999  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -3.933   4.080  -0.216  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -3.773   3.332   1.106  0.00  0.00    +0.035 C 
ATOM     21  N   LIG    1       -3.501   0.858   1.067  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1       -4.306   0.473   0.588  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1       -2.706   0.069   1.857  0.00  0.00    +0.310 C 
ATOM     24  O   LIG    1       -2.924  -1.103   2.117  0.00  0.00    -0.252 OA
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  S   LIG    1        4.167  -3.306  -0.753  0.00  0.00    +0.072 S 
ATOM     26  O   LIG    1        4.591  -4.574  -1.313  0.00  0.00    -0.150 OA
ATOM     27  O   LIG    1        4.876  -2.712   0.358  0.00  0.00    -0.150 OA
BRANCH  25  28
ATOM     28  N   LIG    1        4.125  -2.226  -2.054  0.00  0.00    -0.216 N 
ATOM     29  H   LIG    1        4.036  -2.710  -2.945  0.00  0.00    +0.174 HD
BRANCH  28  33
ATOM     30  C   LIG    1        2.033   1.404  -1.522  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        1.616   0.471  -2.474  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        2.325  -0.717  -2.667  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        3.463  -0.976  -1.904  0.00  0.00    +0.048 A 
ATOM     34  C   LIG    1        3.902  -0.037  -0.974  0.00  0.00    +0.028 A 
ATOM     35  C   LIG    1        3.186   1.149  -0.779  0.00  0.00    +0.047 A 
BRANCH  30  37
ATOM     36  C   LIG    1        1.562   3.424  -0.369  0.00  0.00    +0.277 C 
ATOM     37  O   LIG    1        1.237   2.510  -1.414  0.00  0.00    -0.495 OA
ENDBRANCH  30  37
ENDBRANCH  28  33
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7