REMARK  Name = BDB039722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.919  -2.059  -0.315  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.554  -2.411  -1.190  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.145  -1.298   0.568  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.613  -0.781   1.571  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.240  -1.174   0.154  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.038  -0.311   0.863  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.280  -0.346   0.312  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.308  -1.229  -0.752  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.514  -1.391  -1.442  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.636  -0.651  -1.015  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.611   0.238   0.081  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.380   0.396   0.749  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.995  -1.760  -0.851  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.753   0.965   0.456  0.00  0.00    -0.336 N 
ATOM     15  C   LIG    1        7.067   0.426   0.103  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1        5.715   1.776   1.672  0.00  0.00    +0.129 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  S   LIG    1       -3.511  -2.447  -0.078  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -3.891  -3.190  -1.263  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.674  -3.027   1.236  0.00  0.00    -0.150 OA
BRANCH  17  24
ATOM     20  C   LIG    1       -6.456   2.854  -0.309  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.698   1.560  -0.254  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -5.329   1.009   0.981  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.653  -0.210   1.039  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -4.339  -0.881  -0.144  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -4.728  -0.360  -1.382  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -5.406   0.860  -1.433  0.00  0.00    +0.005 A 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4