REMARK  Name = BDB020499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.012  -1.364   0.107  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.951  -1.273  -0.986  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.698  -0.755  -0.463  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.691  -1.575  -0.025  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.700  -0.721   0.407  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1       -1.074   0.585   0.178  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.847  -3.040  -0.097  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.640  -3.384  -1.271  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.510  -4.741  -1.769  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.288   0.548  -0.337  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.763  -2.645  -1.633  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -4.606  -3.069  -2.428  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.596  -1.059   0.967  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        0.777  -2.117   1.859  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -0.262  -2.874   2.246  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        2.027  -2.423   2.403  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.112  -1.623   2.023  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.985  -0.553   1.135  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.303  -0.023   1.026  0.00  0.00    +0.103 A 
ATOM     20  N   LIG    1        5.174  -0.680   1.804  0.00  0.00    -0.170 NA
ATOM     21  N   LIG    1        4.437  -1.643   2.379  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        5.067  -2.562   3.296  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        1.704  -0.262   0.617  0.00  0.00    +0.025 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.733   1.105   0.204  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.867   1.872   0.361  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        5.850   2.784  -0.649  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        6.826   3.814  -0.905  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        4.790   2.657  -1.470  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.115   1.625  -0.949  0.00  0.00    +0.144 A 
ENDBRANCH  19  24
ENDBRANCH   5  13
BRANCH  10  30
ATOM     30  C   LIG    1       -3.098   1.744  -0.749  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -2.917   2.910   0.231  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -3.671   4.135  -0.266  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -3.250   4.495  -1.580  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.483   3.461  -2.534  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -2.722   2.195  -2.164  0.00  0.00    +0.039 C 
ENDBRANCH  10  30
TORSDOF 3