REMARK  Name = BDB001190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.165   0.593   0.630  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.855   0.032   1.409  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.790   0.867   2.025  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -1.708   2.256   1.891  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.697   2.812   1.108  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.233   1.985   0.471  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.405   0.164  -0.198  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.608   1.069   0.228  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.126  -0.330  -0.042  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        0.719  -1.438  -0.373  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.970  -2.290  -2.701  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.785  -1.664  -2.027  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        5.887  -0.400  -1.437  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.771   0.206  -0.830  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        3.522  -0.458  -0.816  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.431  -1.713  -1.428  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.546  -2.307  -2.029  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.915   1.554  -0.212  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.013   2.197   0.300  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        6.169   2.037  -0.255  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        6.117   2.910   0.187  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  14  18
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  S   LIG    1       -3.087   0.166   3.008  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1       -3.268   1.009   4.176  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1       -2.887  -1.265   3.120  0.00  0.00    -0.148 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -4.478   0.378   2.045  0.00  0.00    -0.218 N 
ATOM     26  C   LIG    1       -4.756  -0.319   0.885  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1       -5.890   0.294   0.325  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -6.409  -0.219  -0.884  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -5.794  -1.311  -1.504  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1       -4.673  -1.901  -0.933  0.00  0.00    +0.003 A 
ATOM     31 BR   LIG    1       -7.933   0.558  -1.699  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1       -6.258   1.373   1.186  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -4.137  -1.421   0.266  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1       -5.358   1.414   2.225  0.00  0.00    +0.113 A 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6