REMARK  Name = BDB037098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.355  -0.144   2.397  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.178  -1.436   2.488  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.263  -2.215   2.011  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.293   0.871   2.593  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.598   1.210   1.037  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -4.493   0.150   1.236  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.014  -1.032   1.825  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.674  -1.147   2.210  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.793  -0.075   2.017  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.264   1.110   1.442  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.469   2.663  -0.759  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.072   2.380   0.506  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.936   0.253   0.803  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.162  -0.428  -0.467  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.915   0.200  -1.637  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.256  -0.701  -2.560  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.731  -1.897  -1.994  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.667  -1.690  -0.636  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.777  -1.764   2.822  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.967  -3.173   2.537  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.081  -1.241   4.137  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.675  -0.848   1.607  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        2.474  -1.087   0.250  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        3.180  -0.336  -0.697  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1        4.128   0.637  -0.313  0.00  0.00    -0.038 A 
ATOM     26  C   LIG    1        4.324   0.839   1.064  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.605   0.109   2.017  0.00  0.00    +0.033 A 
BRANCH  25  28
ATOM     28  C   LIG    1        4.887   1.439  -1.385  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1        3.882   2.245  -2.236  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        5.908   2.445  -0.808  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        5.669   0.473  -2.302  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  23  32
ATOM     32  O   LIG    1        1.528  -1.989  -0.164  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        2.134  -3.099  -0.833  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8