REMARK  Name = BDB017727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.562   0.921   0.862  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        2.352   1.460  -0.161  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.598   0.898  -0.464  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        4.099  -0.204   0.246  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        5.430  -0.738  -0.123  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1        5.959  -1.808   0.584  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.282  -2.331   1.140  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        7.089  -2.570   0.082  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        8.115  -1.605  -0.502  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        7.476  -0.684  -1.550  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        6.117  -0.178  -1.138  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.567   0.974  -1.900  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.171   1.481  -2.841  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        3.296  -0.730   1.266  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1        3.698  -1.799   1.973  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1        4.348   1.450  -1.507  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.999   2.237  -2.036  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        2.052  -0.179   1.577  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.220   1.531   1.210  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1       -3.679   0.322   0.227  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -3.364   0.343   1.672  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.045   1.103   1.946  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -0.867   0.544   1.246  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -1.234   0.034  -0.095  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -2.553   0.593  -0.679  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.095  -0.089   0.507  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1       -5.000   0.493  -0.176  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1       -5.324   1.256  -1.313  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -6.650   1.473  -1.714  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -7.704   0.925  -0.985  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1       -7.425   0.143   0.132  0.00  0.00    +0.066 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.649  -2.246   1.151  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.917  -0.914   1.596  0.00  0.00    -0.493 OA
ENDBRANCH  26  33
BRANCH  30  34
ATOM     34  C   LIG    1       -9.060   1.158  -1.384  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1      -10.157   1.348  -1.713  0.00  0.00    -0.191 NA
ENDBRANCH  30  34
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5