REMARK  Name = BDB001323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.842  -0.999   0.227  0.00  0.00    -0.028 S 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -4.136   2.457  -1.530  0.00  0.00    -0.165 OA
ATOM      3  S   LIG    1       -3.817   2.033  -0.184  0.00  0.00    +0.020 S 
ATOM      4  C   LIG    1       -4.539   0.470   0.068  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -3.543  -0.496   0.198  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.949  -1.813   0.407  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -5.318  -2.113   0.477  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -6.286  -1.108   0.340  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.179   0.076   0.086  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.899   0.212   0.131  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.206   1.403  -0.116  0.00  0.00    +0.155 C 
ATOM     12  O   LIG    1       -4.091   2.842   0.983  0.00  0.00    -0.165 OA
ENDBRANCH   1   9
BRANCH   1  13
ATOM     13  C   LIG    1        0.604  -0.054   0.057  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1        1.841  -0.648   0.126  0.00  0.00    -0.411 OA
ATOM     15  C   LIG    1        2.689   0.413  -0.051  0.00  0.00    +0.249 A 
ATOM     16  N   LIG    1        2.042   1.548  -0.213  0.00  0.00    -0.106 NA
ATOM     17  N   LIG    1        0.700   1.243  -0.142  0.00  0.00    -0.100 NA
BRANCH  15  18
ATOM     18  C   LIG    1        4.120   0.142  -0.035  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.629  -1.153   0.153  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        6.007  -1.384   0.164  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.894  -0.325  -0.013  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.406   0.966  -0.202  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.028   1.197  -0.212  0.00  0.00    +0.013 A 
ENDBRANCH  15  18
ENDBRANCH   1  13
TORSDOF 3