REMARK  Name = BDB020935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.439  -0.025  -0.919  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.141   1.341  -1.431  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        2.087   1.267  -2.553  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.884   0.570  -2.079  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.206   1.333  -1.683  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.246   2.552  -1.844  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.172  -0.787  -1.599  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.227  -0.755  -0.470  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.524  -0.059   1.909  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        5.926   1.105   1.462  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        4.924   1.137   0.548  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.467  -0.030   0.043  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.037  -1.243   0.440  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        6.069  -1.260   1.381  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.429   0.018   3.659  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.576  -0.015   2.873  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.371   0.587  -1.061  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.539   1.519  -0.749  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.725   0.706  -0.303  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -4.603   0.335  -1.286  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -4.476   0.632  -2.244  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -5.726  -0.430  -1.056  0.00  0.00    +0.278 A 
ATOM     23  O   LIG    1       -6.477  -0.731  -1.977  0.00  0.00    -0.265 OA
ATOM     24  C   LIG    1       -5.936  -0.845   0.355  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -4.980  -0.420   1.277  0.00  0.00    +0.096 A 
ATOM     26  C   LIG    1       -5.174  -0.803   2.601  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -6.284  -1.575   2.945  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -7.173  -1.945   1.945  0.00  0.00    +0.112 A 
ATOM     29  N   LIG    1       -7.028  -1.599   0.650  0.00  0.00    -0.248 NA
ATOM     30  N   LIG    1       -3.856   0.357   0.936  0.00  0.00    -0.232 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5