REMARK  Name = BDB020810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090   0.544   0.695  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.333   1.795   0.157  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        1.683   2.045   0.127  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.812   3.315  -0.353  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.630   3.792  -0.669  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.643   1.126   0.560  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.260  -0.017   1.064  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.305   2.833  -0.346  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.904  -0.277   1.107  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1       -4.286  -0.411   0.880  0.00  0.00    -0.177 NA
ATOM     11  C   LIG    1       -3.614  -0.484  -0.436  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1       -2.367   0.402  -0.426  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -1.495   0.130   0.779  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1       -2.030  -0.452   1.872  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1       -3.467  -0.870   2.018  0.00  0.00    +0.136 C 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.954  -2.526   0.551  0.00  0.00    +0.215 C 
ATOM     17  S   LIG    1       -5.932  -0.785   0.939  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -6.591  -0.091  -0.147  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1       -6.378  -0.636   2.307  0.00  0.00    -0.158 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        3.987   1.421   0.490  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        4.495   0.735   1.050  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.657   1.518  -0.810  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.133   0.228  -1.385  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        6.281   0.286  -2.122  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        6.543  -0.973  -2.553  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        5.580  -1.845  -2.106  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        4.664  -1.071  -1.353  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5