REMARK  Name = BDB012718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292  -0.415  -0.291  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.474  -1.219  -1.190  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.787  -0.766  -1.062  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.850  -1.308  -1.801  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.553  -2.346  -2.689  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.251  -2.811  -2.824  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        1.000  -3.807  -3.684  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.724   0.236  -0.123  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1        0.198  -2.267  -2.091  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.484   0.467   0.339  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.831   1.032   0.352  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        3.037   2.306  -0.445  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        3.813   3.185   0.389  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        3.763   2.688   1.735  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        2.733   1.577   1.765  0.00  0.00    +0.057 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.630  -0.579  -0.152  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -2.067  -1.307  -0.723  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.950  -0.274   0.629  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.583   0.080   0.662  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -2.259   1.112   1.543  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -3.142   1.770   2.342  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -4.430   1.393   2.272  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.881   0.389   1.442  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -3.700  -2.011  -1.020  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.412  -1.361  -0.273  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.736  -1.589  -0.204  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.894  -2.317  -0.842  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5