REMARK  Name = BDB031320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.516   0.713   1.337  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        5.475   0.321   0.844  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        4.323   1.083   0.600  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        4.249   2.066   0.809  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        3.357   0.265   0.026  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.897  -1.018  -0.092  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        3.192  -2.069  -0.630  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.887  -1.798  -1.058  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.345  -0.495  -0.927  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1        2.083   0.567  -0.384  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1        5.192  -0.983   0.410  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        5.851  -1.743   0.461  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  S   LIG    1       -0.320  -0.168  -1.474  0.00  0.00    +0.075 S 
ATOM     14  O   LIG    1       -0.231   0.968  -2.368  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -0.898  -1.426  -1.904  0.00  0.00    -0.150 OA
BRANCH  13  16
ATOM     16  N   LIG    1       -1.076   0.292  -0.013  0.00  0.00    -0.202 N 
ATOM     17  C   LIG    1       -2.402   0.819  -0.156  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -3.317   0.096   0.603  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1       -4.657   0.450   0.634  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.064   1.566  -0.100  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.136   2.304  -0.851  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.663  -1.073   1.257  0.00  0.00    +0.058 C 
ATOM     23  C   LIG    1       -2.789   1.933  -0.879  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -1.170  -0.782   1.039  0.00  0.00    +0.136 C 
ENDBRANCH  13  16
ENDBRANCH   9  13
TORSDOF 2