REMARK  Name = BDB021899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818  -2.138   0.080  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.215  -2.091  -1.333  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1        1.303  -2.236  -1.284  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        1.976  -1.179  -0.515  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        1.115  -0.571   0.519  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        0.153  -1.585   1.135  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -6.595   2.508   0.006  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.787   1.248   0.128  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1       -4.390   1.295  -0.025  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.654   0.104   0.061  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -4.322  -1.093   0.285  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1       -3.326  -2.035   0.313  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1       -3.455  -3.025   0.459  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1       -2.124  -1.400   0.110  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -5.707  -1.182   0.428  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -2.300  -0.103  -0.046  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -6.426   0.017   0.339  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   4  18
ATOM     18  C   LIG    1        2.546  -0.149  -1.402  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.482   0.806  -0.687  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1        4.651   0.329  -0.074  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        5.531   1.201   0.586  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        5.218   2.567   0.637  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.059   3.051   0.031  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.196   2.176  -0.629  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1        6.767   0.668   1.266  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        7.301  -0.416   0.636  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        6.530   0.277   2.548  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.775   1.584   1.337  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4