REMARK  Name = BDB000190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.867  -1.888   0.738  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -2.485  -0.979  -0.551  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1       -1.151   0.103  -0.453  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.291  -0.349   0.535  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -0.717  -1.479   1.214  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.956   0.296   0.907  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.998   0.446  -0.018  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.201   1.071   0.350  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        3.342   1.548   1.661  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.314   1.386   2.590  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.126   0.757   2.216  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  C   LIG    1        4.319   1.251  -0.654  0.00  0.00    +0.070 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.804  -0.031  -1.293  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        4.718  -0.211  -2.681  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.173  -1.391  -3.272  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.721  -2.401  -2.483  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.816  -2.232  -1.103  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.363  -1.052  -0.511  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1       -3.626  -3.658   1.041  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1       -2.453  -3.012   1.248  0.00  0.00    -0.263 N 
ATOM     21  H   LIG    1       -1.852  -3.485   1.912  0.00  0.00    +0.157 HD
ATOM     22  O   LIG    1       -3.760  -4.755   1.607  0.00  0.00    -0.274 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -5.518  -1.992   0.965  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1       -4.792  -3.095   0.203  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.769  -4.178  -0.080  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1       -5.268  -4.937  -0.546  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -6.029  -4.593   0.821  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH   1  20
BRANCH   3  28
ATOM     28  C   LIG    1       -1.084   1.302  -1.349  0.00  0.00    +0.079 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.614   2.557  -0.691  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -2.985   2.853  -0.725  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.478   4.001  -0.102  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.608   4.861   0.566  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.245   4.574   0.611  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.750   3.428  -0.013  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 8