REMARK  Name = BDB039782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.587   1.906  -1.788  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.263   3.305  -1.613  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.972   1.351  -3.067  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.713   1.651   0.724  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -2.919   1.573  -0.654  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -4.183   1.244  -1.162  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.253   0.992  -0.287  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -5.029   1.056   1.097  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.765   1.375   1.599  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -1.403   3.191   1.833  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -1.463   1.892   1.230  0.00  0.00    -0.493 OA
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  C   LIG    1       -6.613   0.626  -0.832  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -6.679  -0.782  -1.195  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1       -6.503  -1.158  -2.478  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -6.641  -2.485  -2.443  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1       -6.925  -2.959  -1.149  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -6.952  -1.832  -0.362  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1       -0.352   0.980  -1.167  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1       -0.468   0.747  -0.187  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1        0.932   0.993  -1.731  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1        1.181   1.534  -2.798  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.916   0.309  -0.912  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        3.230   0.380  -1.302  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        3.970  -0.320  -0.401  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        3.153  -0.854   0.578  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        3.749  -1.616   1.589  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.148  -1.791   1.561  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        5.983  -1.231   0.570  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1        5.356  -0.485  -0.448  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        1.833  -0.452   0.246  0.00  0.00    +0.063 A 
BRANCH  28  31
ATOM     31  N   LIG    1        7.370  -1.451   0.579  0.00  0.00    -0.336 N 
ATOM     32  C   LIG    1        8.020  -1.739   1.857  0.00  0.00    +0.129 C 
ATOM     33  C   LIG    1        8.206  -0.775  -0.412  0.00  0.00    +0.129 C 
ENDBRANCH  28  31
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 7