REMARK  Name = BDB014692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.049   0.410   0.156  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.003  -0.586  -0.020  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.040  -2.706  -0.799  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.561  -2.442  -0.679  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.170  -1.201  -0.193  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.717  -1.019  -0.003  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.380   0.418   0.169  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.126   1.082   0.251  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.306   2.396   0.428  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.638   2.576   0.435  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.163   3.911   0.583  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.324   1.412   0.306  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.789   1.199   0.282  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.074  -0.295   0.551  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -3.749  -3.306  -1.014  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.392   0.849   0.234  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.420  -0.097   0.044  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.780   0.257   0.109  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.103   1.592   0.367  0.00  0.00    +0.131 A 
ATOM     20  F   LIG    1        5.380   2.000   0.426  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.107   2.544   0.556  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        1.762   2.172   0.489  0.00  0.00    +0.026 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.799  -0.760  -0.098  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        6.041  -0.782   0.502  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.671  -1.903   0.048  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.000  -2.350   0.386  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.922  -2.633  -0.798  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.787  -1.933  -0.889  0.00  0.00    +0.143 A 
ENDBRANCH  18  23
ENDBRANCH   1  16
TORSDOF 3