REMARK  Name = BDB039759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.928   0.086  -0.284  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.855  -0.678   0.218  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.563  -0.154   0.142  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.252   1.075  -0.409  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.156   1.214  -0.282  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        1.624   0.064   0.336  0.00  0.00    +0.192 A 
ATOM      7  C   LIG    1       -1.296   1.847  -0.930  0.00  0.00    +0.013 A 
ATOM      8  O   LIG    1        0.563  -0.766   0.595  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1       -2.607   1.335  -0.861  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.942  -0.387   0.734  0.00  0.00    +0.298 C 
ATOM     11  N   LIG    1        3.980   0.401   0.223  0.00  0.00    -0.184 N 
ATOM     12  H   LIG    1        3.815   1.143  -0.446  0.00  0.00    +0.177 HD
ATOM     13  O   LIG    1        3.163  -1.382   1.410  0.00  0.00    -0.265 OA
BRANCH  11  14
ATOM     14  S   LIG    1        5.552   0.308   0.720  0.00  0.00    +0.043 S 
ATOM     15  O   LIG    1        5.596   0.400   2.160  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1        6.249   1.276  -0.104  0.00  0.00    -0.155 OA
ATOM     17  C   LIG    1        6.066  -1.316   0.196  0.00  0.00    +0.218 C 
ENDBRANCH  11  14
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -4.550  -1.617   0.475  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -4.249  -0.387  -0.256  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -5.340   0.587  -0.319  0.00  0.00    +0.129 C 
ENDBRANCH   1  19
TORSDOF 3