REMARK  Name = BDB015045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.009   0.539  -0.560  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.114   0.992   0.403  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        0.830   2.331   0.844  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1       -0.112   2.328   1.103  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.508   0.981  -0.256  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        2.934  -0.322  -0.800  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.195  -0.194  -1.561  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.448  -0.091  -0.718  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.471  -0.564   0.608  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        6.655  -0.488   1.353  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.816   0.032   0.782  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.802   0.484  -0.535  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.211  -1.091   1.247  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.626   0.420  -1.283  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.102  -1.371   0.222  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.231   0.581   0.163  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.356   0.197  -0.513  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.532   0.229   0.246  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -4.773  -0.137  -0.302  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1       -4.804  -0.541  -1.646  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.636  -0.575  -2.410  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.414  -0.206  -1.846  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -6.002  -0.098   0.508  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -6.836  -1.227   0.613  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -8.002  -1.190   1.381  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -8.344  -0.023   2.051  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.462   0.013   2.788  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.542   1.108   1.967  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.375   1.069   1.199  0.00  0.00    +0.011 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7