REMARK  Name = BDB051284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.328   2.329   1.752  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.447   1.680   1.200  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -2.774   0.488   0.359  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.758  -0.247  -0.268  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.051  -1.362  -1.056  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.383  -1.744  -1.218  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.406  -1.019  -0.598  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.440   0.189  -0.066  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.134   1.283   0.706  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        1.230   1.412   0.679  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1        1.670   0.343  -0.140  0.00  0.00    +0.102 A 
ATOM     12  N   LIG    1        0.650  -0.402  -0.594  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.105   0.096   0.190  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.114   2.020   1.331  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -0.888   2.827   1.900  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        3.160   0.014  -0.512  0.00  0.00    +0.039 A 
ATOM     17  S   LIG    1        4.508   0.913   0.025  0.00  0.00    -0.095 S 
ATOM     18  C   LIG    1        5.598  -0.105  -0.814  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.946  -1.111  -1.492  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.532  -1.042  -1.316  0.00  0.00    +0.018 A 
ENDBRANCH  11  16
TORSDOF 1