REMARK  Name = BDB037158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.490   1.070   0.867  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.823   1.034  -0.098  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.403   0.649   1.847  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        1.280   0.797   3.052  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.599  -0.027   1.252  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.649  -0.076  -0.111  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        3.732  -0.678  -0.653  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1        4.770  -1.239   0.091  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1        4.681  -1.171   1.486  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.582  -0.554   2.080  0.00  0.00    +0.033 A 
BRANCH   8  11
ATOM     11  C   LIG    1        5.936  -1.904  -0.590  0.00  0.00    +0.180 C 
BRANCH  11  12
ATOM     12  N   LIG    1        6.707  -0.955  -1.381  0.00  0.00    -0.267 N 
ATOM     13  N   LIG    1        6.437  -0.800  -2.694  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        7.318   0.123  -3.090  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1        8.152   0.552  -2.042  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        7.735  -0.168  -0.946  0.00  0.00    +0.108 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  S   LIG    1       -0.875   1.969   1.090  0.00  0.00    +0.078 S 
ATOM     18  O   LIG    1       -0.925   2.565   2.405  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -0.954   2.807  -0.093  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -2.266  -0.315   1.817  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -2.196   0.788   0.975  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.200   0.996   0.012  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -4.279   0.099  -0.140  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.308  -1.018   0.708  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.312  -1.227   1.669  0.00  0.00    +0.048 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.358   0.364  -1.206  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -4.708   0.399  -2.606  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -6.040   1.721  -0.928  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.472  -0.706  -1.245  0.00  0.00    +0.015 C 
ENDBRANCH  23  26
BRANCH  20  31
ATOM     30  C   LIG    1       -1.727  -0.242   4.053  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.295  -0.591   2.735  0.00  0.00    -0.493 OA
ENDBRANCH  20  31
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 7