REMARK  Name = BDB057396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -0.845  -0.154  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        1.575  -0.347   0.054  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        2.642  -1.347   0.356  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        2.365  -2.538   0.507  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1        3.947  -0.859   0.449  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        4.991  -1.850   0.718  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        4.284   0.481   0.309  0.00  0.00    +0.146 C 
ATOM      8  S   LIG    1        5.824   1.143   0.398  0.00  0.00    -0.018 S 
ATOM      9  N   LIG    1        3.258   1.353   0.083  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        3.494   2.337   0.044  0.00  0.00    +0.157 HD
ATOM     11  C   LIG    1        1.919   1.088   0.019  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        1.126   2.018  -0.031  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1       -3.106   2.084  -2.443  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1       -2.405   1.110  -1.565  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -3.030   0.369  -0.585  0.00  0.00    -0.351 N 
ATOM     16  C   LIG    1       -4.445   0.413  -0.273  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1       -2.103  -0.421   0.070  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -2.478  -1.327   1.194  0.00  0.00    +0.064 C 
ATOM     19  C   LIG    1       -0.871  -0.175  -0.512  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1       -1.067   0.769  -1.545  0.00  0.00    +0.030 A 
ENDBRANCH   1  19
TORSDOF 1