REMARK  Name = BDB059782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.960  -0.410   1.746  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.256  -1.360   2.500  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.117  -1.173   2.755  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.084  -1.928   3.479  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.283  -1.257   3.403  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        3.078  -0.141   2.633  0.00  0.00    -0.218 N 
ATOM      7  C   LIG    1        1.755  -0.032   2.249  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        1.052   0.943   1.520  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.311   0.737   1.280  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.928  -0.078   0.351  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.269   0.176  -0.372  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.410  -0.647   1.497  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -3.060  -1.344   2.266  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.294  -0.346  -0.081  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.494   0.060  -1.535  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -4.047   1.294  -2.036  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.249   1.639  -3.374  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.901   0.756  -4.231  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.355  -0.470  -3.751  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.155  -0.815  -2.413  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -5.264   1.761   1.084  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.367   0.259   0.851  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  S   LIG    1        4.315   0.950   2.204  0.00  0.00    +0.085 S 
ATOM     24  O   LIG    1        5.553   0.407   2.731  0.00  0.00    -0.148 OA
ATOM     25  O   LIG    1        3.815   2.246   2.625  0.00  0.00    -0.148 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.389   0.906   0.425  0.00  0.00    +0.119 A 
ATOM     27  C   LIG    1        4.646  -0.295  -0.296  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        4.578  -0.227  -1.712  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1        4.790  -1.377  -2.490  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.087  -2.602  -1.899  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.190  -2.688  -0.520  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.307   0.992  -2.353  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        4.108   2.161  -1.626  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        4.980  -1.554   0.268  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1        4.149   2.121  -0.239  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH   6  23
TORSDOF 6