REMARK  Name = BDB020832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107  -0.298   0.373  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.727  -1.534   0.037  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -3.094  -1.536  -0.094  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -3.424  -2.814  -0.443  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.341  -3.557  -0.495  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.893  -0.401   0.101  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -3.318   0.733   0.401  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.268  -2.749  -0.189  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.942   0.754   0.525  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.439   0.767   0.693  0.00  0.00    +0.404 C 
ATOM     11  N   LIG    1        3.129   0.314   0.689  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        2.665  -0.729  -0.223  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        1.210  -0.504  -0.639  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        0.337  -0.131   0.535  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        0.888   0.319   1.678  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        2.357   0.524   1.901  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        4.908   1.460   1.588  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        5.132   0.360  -0.401  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1        6.915   0.077  -1.927  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        6.521   0.730  -0.593  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        6.681   2.248  -0.726  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        7.410   0.153   0.514  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -5.260  -0.513  -0.035  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -5.683  -1.423   0.104  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -6.142   0.576   0.355  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.587   0.273   0.076  0.00  0.00    +0.007 A 
ATOM     27  S   LIG    1       -8.512  -0.623   1.208  0.00  0.00    -0.100 S 
ATOM     28  C   LIG    1       -9.907  -0.547   0.223  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -9.676   0.139  -0.948  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -8.334   0.611  -1.035  0.00  0.00    +0.013 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6