REMARK  Name = BDB051672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.672   1.909   2.100  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.705   1.212   1.822  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.666   0.372   0.591  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.478  -0.279   0.209  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -2.485  -1.120  -0.915  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.227  -1.861  -1.272  0.00  0.00    +0.052 C 
ATOM      7  C   LIG    1       -0.470  -2.241   0.001  0.00  0.00    +0.114 C 
ATOM      8  N   LIG    1       -0.139  -1.054   0.821  0.00  0.00    -0.172 NA
ATOM      9  C   LIG    1       -3.650  -1.256  -1.679  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.816  -0.584  -1.308  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.194  -0.016   0.978  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -1.559   0.164   2.466  0.00  0.00    +0.129 C 
ATOM     13  C   LIG    1       -4.829   0.222  -0.171  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1       -2.601   1.160   2.638  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1       -2.702   1.637   3.526  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  S   LIG    1        1.478  -0.562   0.935  0.00  0.00    +0.037 S 
ATOM     17  O   LIG    1        2.267  -1.764   1.103  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        1.519   0.509   1.908  0.00  0.00    -0.158 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.787   0.116  -0.707  0.00  0.00    +0.220 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.183   0.678  -0.760  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        4.270  -0.144  -1.091  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.564   0.379  -1.139  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.784   1.725  -0.855  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.713   2.549  -0.519  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.418   2.030  -0.470  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   8  16
TORSDOF 3