REMARK  Name = BDB065346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.107  -1.570  -2.755  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.792  -0.981  -3.237  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        0.811  -2.717  -1.752  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1       -0.198  -3.712  -1.458  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        2.083  -3.070  -2.340  0.00  0.00    -0.153 OA
BRANCH   3   9
ATOM      6  C   LIG    1        3.579   0.821   0.971  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        2.440  -0.155   0.933  0.00  0.00    -0.049 A 
ATOM      8  C   LIG    1        2.193  -0.898  -0.228  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        1.134  -1.811  -0.258  0.00  0.00    +0.106 A 
ATOM     10  C   LIG    1        0.338  -2.021   0.871  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        0.594  -1.294   2.033  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.639  -0.367   2.063  0.00  0.00    +0.003 A 
ENDBRANCH   3   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -1.101  -0.865  -2.291  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.680   0.495  -1.757  0.00  0.00    +0.181 C 
ATOM     15  O   LIG    1        0.351   1.049  -2.145  0.00  0.00    -0.291 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.514   1.157  -0.726  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -2.875   0.889  -0.590  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1       -3.495   0.033  -1.413  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.631   1.520   0.396  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.024   2.433   1.258  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -1.665   2.718   1.125  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.911   2.086   0.133  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5