REMARK  Name = BDB002151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.178   2.966   0.639  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.236   1.736   0.107  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.678   0.833  -0.469  0.00  0.00    +0.053 A 
ATOM      4  N   LIG    1       -0.180  -0.408  -0.993  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.824  -1.652  -0.907  0.00  0.00    +0.252 C 
ATOM      6  C   LIG    1       -1.986  -1.838  -0.012  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -3.151  -1.081  -0.120  0.00  0.00    +0.043 A 
ATOM      8  S   LIG    1       -3.323   0.235  -1.324  0.00  0.00    +0.022 S 
ATOM      9  O   LIG    1       -2.687  -0.311  -2.751  0.00  0.00    -0.152 OA
ATOM     10  C   LIG    1       -4.226  -1.343   0.744  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.136  -2.357   1.699  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.978  -3.123   1.794  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.907  -2.870   0.937  0.00  0.00    +0.014 A 
ATOM     14  O   LIG    1       -0.393  -2.676  -1.443  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.035   1.212  -0.518  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -2.447   2.448   0.016  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -1.526   3.318   0.594  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        0.482   4.995   1.749  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        0.774   3.918   1.263  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.041   3.473   1.250  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        2.555   4.192   1.675  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   4  22
ATOM     22  C   LIG    1        1.017  -0.350  -1.854  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.333  -0.571  -1.142  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.384   0.336  -1.325  0.00  0.00    +0.128 A 
ATOM     25  F   LIG    1        3.208   1.414  -2.103  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.619   0.160  -0.706  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        4.830  -0.950   0.107  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.806  -1.878   0.290  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.568  -1.693  -0.334  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 4