REMARK  Name = BDB032643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.971  -3.255   1.747  0.00  0.00    +0.074 S 
ATOM      2  O   LIG    1        0.214  -4.468   1.971  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.969  -2.801   2.692  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -2.090   0.093   1.146  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -0.991   0.288   1.998  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -0.053  -0.730   2.189  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.213  -1.945   1.518  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -1.310  -2.159   0.678  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.246  -1.138   0.490  0.00  0.00    +0.017 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -3.056   1.214   0.981  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1       -2.942   2.289   1.547  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -4.051   0.864   0.130  0.00  0.00    -0.461 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.034   1.886  -0.081  0.00  0.00    +0.232 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.860   0.175  -0.465  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -6.099   1.361  -1.039  0.00  0.00    +0.038 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.663  -3.385   0.243  0.00  0.00    -0.197 N 
ATOM     17  H   LIG    1        1.368  -4.181  -0.317  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.425  -2.418  -0.384  0.00  0.00    +0.181 A 
ATOM     19  N   LIG    1        2.682  -2.535  -1.688  0.00  0.00    -0.061 NA
ATOM     20  O   LIG    1        3.443  -1.429  -2.020  0.00  0.00    -0.353 OA
ATOM     21  C   LIG    1        3.650  -0.660  -0.912  0.00  0.00    +0.169 A 
ATOM     22  C   LIG    1        3.018  -1.260   0.154  0.00  0.00    +0.097 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.448   0.549  -1.091  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.930   0.927  -2.354  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.691   2.088  -2.514  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.982   2.890  -1.414  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.513   2.531  -0.153  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.752   1.369   0.007  0.00  0.00    +0.011 A 
ENDBRANCH  21  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 8