REMARK  Name = BDB059842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633  -2.100   0.052  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.364  -0.743  -0.297  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -0.248   0.114   0.663  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.502   1.462   0.309  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.173   1.971  -0.945  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.418   1.143  -1.882  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.589  -0.412   1.936  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -0.332  -1.743   2.253  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.677  -0.191  -1.563  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.273  -2.577   1.324  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.249   0.387   2.921  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1       -0.985   1.363   3.016  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -2.878   0.106   3.261  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1       -3.317   1.242   4.046  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -3.042  -1.247   3.747  0.00  0.00    -0.150 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.665   0.220   1.671  0.00  0.00    +0.109 A 
ATOM     17  C   LIG    1       -4.144   1.454   1.222  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.767   1.543  -0.027  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -4.922   0.403  -0.819  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -4.458  -0.830  -0.347  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.838  -0.930   0.899  0.00  0.00    +0.032 A 
BRANCH  19  22
ATOM     22  O   LIG    1       -5.507   0.355  -2.054  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -6.021   1.575  -2.572  0.00  0.00    +0.277 C 
ENDBRANCH  19  22
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  24
ATOM     24  C   LIG    1        1.308  -3.083  -0.883  0.00  0.00    +0.207 C 
BRANCH  24  25
ATOM     25  S   LIG    1        3.046  -3.268  -0.508  0.00  0.00    +0.001 S 
ATOM     26  O   LIG    1        3.642  -4.031  -1.592  0.00  0.00    -0.169 OA
ATOM     27  O   LIG    1        3.197  -3.730   0.860  0.00  0.00    -0.169 OA
BRANCH  25  31
ATOM     28  C   LIG    1        4.825   0.936  -0.741  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        4.749   0.135  -1.885  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        4.214  -1.153  -1.821  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        3.737  -1.632  -0.600  0.00  0.00    +0.089 A 
ATOM     32  C   LIG    1        3.836  -0.855   0.557  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        4.372   0.434   0.481  0.00  0.00    +0.047 A 
BRANCH  28  35
ATOM     34  C   LIG    1        5.490   3.023   0.185  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        5.363   2.176  -0.951  0.00  0.00    -0.495 OA
ENDBRANCH  28  35
ENDBRANCH  25  31
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8