REMARK  Name = BDB003152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.958   0.731   0.240  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1        1.162  -0.085  -0.965  0.00  0.00    +0.215 A 
ATOM      3  O   LIG    1        1.971   0.215  -1.833  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        0.341  -1.316  -1.102  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.620  -1.639  -0.112  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -1.365  -2.817  -0.303  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.159  -3.632  -1.423  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.208  -3.283  -2.369  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1       -0.019  -4.069  -3.436  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -0.798  -0.772   0.995  0.00  0.00    -0.336 N 
ATOM     11  C   LIG    1        0.547  -2.132  -2.223  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.015   0.349   1.111  0.00  0.00    +0.118 A 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        1.856   2.173   0.518  0.00  0.00    +0.030 S 
ATOM     14  O   LIG    1        1.657   2.608   1.893  0.00  0.00    -0.164 OA
ATOM     15  O   LIG    1        1.606   3.118  -0.555  0.00  0.00    -0.164 OA
BRANCH  13  20
ATOM     16  C   LIG    1        7.683   0.470   0.253  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        6.250   0.911   0.326  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1        5.484   0.643   1.468  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.142   1.024   1.525  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.559   1.659   0.423  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1        4.312   1.938  -0.718  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.652   1.551  -0.769  0.00  0.00    +0.005 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH  10  23
ATOM     23  C   LIG    1       -1.748  -1.151   2.076  0.00  0.00    +0.217 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.222  -0.948   1.693  0.00  0.00    +0.237 C 
ATOM     25  N   LIG    1       -3.412  -0.021   0.685  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1       -2.562   0.346   0.270  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -4.100  -1.562   2.293  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -4.624   0.415   0.118  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -5.883  -0.005   0.549  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -7.041   0.478  -0.070  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.948   1.385  -1.123  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.697   1.811  -1.559  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.541   1.329  -0.941  0.00  0.00    +0.023 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 5