REMARK  Name = BDB053545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298  -1.543  -0.643  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.183  -1.873  -0.859  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.051  -0.790  -0.621  0.00  0.00    -0.185 N 
ATOM      4  H   LIG    1       -1.679   0.126  -0.391  0.00  0.00    +0.177 HD
ATOM      5  O   LIG    1       -1.584  -2.975  -1.206  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1       -3.703  -0.901  -0.793  0.00  0.00    +0.074 S 
ATOM      7  O   LIG    1       -4.223  -1.726   0.275  0.00  0.00    -0.150 OA
ATOM      8  O   LIG    1       -4.020  -1.130  -2.184  0.00  0.00    -0.150 OA
BRANCH   6   9
ATOM      9  C   LIG    1       -4.165   0.781  -0.426  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1       -4.210   1.722  -1.458  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -4.566   3.039  -1.168  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.878   3.406   0.143  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.844   2.458   1.167  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.489   1.138   0.886  0.00  0.00    +0.029 A 
ENDBRANCH   6   9
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.168  -2.792  -0.426  0.00  0.00    +0.024 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -0.112  -3.739   1.594  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        1.218  -3.259   1.036  0.00  0.00    -0.002 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   1  18
ATOM     18  S   LIG    1        0.842  -0.625  -2.144  0.00  0.00    -0.086 S 
BRANCH  18  19
ATOM     19  C   LIG    1        2.249   0.212  -1.525  0.00  0.00    +0.136 A 
ATOM     20  S   LIG    1        3.418   0.911  -2.558  0.00  0.00    -0.061 S 
ATOM     21  C   LIG    1        4.309   1.443  -1.183  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        3.633   1.048  -0.026  0.00  0.00    +0.081 A 
ATOM     23  C   LIG    1        4.181   1.377   1.230  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.381   2.087   1.286  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        6.043   2.473   0.125  0.00  0.00    +0.021 A 
ATOM     26 CL   LIG    1        6.053   2.491   2.820  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        5.517   2.157  -1.132  0.00  0.00    +0.018 A 
ATOM     28  N   LIG    1        2.454   0.352  -0.237  0.00  0.00    -0.233 NA
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7