REMARK  Name = BDB019030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.155   0.085   1.095  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.163   0.061   0.099  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.083  -0.483   0.442  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -0.357  -0.980   1.711  0.00  0.00    +0.089 A 
ATOM      5  N   LIG    1       -1.642  -1.443   1.787  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.178  -1.245   0.597  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        0.637  -0.948   2.699  0.00  0.00    +0.030 A 
ATOM      8  N   LIG    1       -1.257  -0.670  -0.255  0.00  0.00    -0.325 N 
ATOM      9  C   LIG    1        1.891  -0.411   2.379  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.265   4.032   0.423  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.948   2.572   0.460  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        6.071   1.627   0.147  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        7.184   2.068  -0.131  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        5.757   0.268   0.196  0.00  0.00    -0.317 N 
ATOM     15  C   LIG    1        6.792  -0.711  -0.094  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.487  -0.191   0.506  0.00  0.00    +0.097 A 
ATOM     17  C   LIG    1        3.478   0.652   0.783  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        3.735   2.077   0.756  0.00  0.00    +0.018 A 
ENDBRANCH   1  17
BRANCH   6  19
ATOM     19  C   LIG    1       -3.595  -1.592   0.237  0.00  0.00    +0.059 C 
ATOM     20  C   LIG    1       -4.589  -0.779   1.084  0.00  0.00    +0.039 C 
ATOM     21  C   LIG    1       -5.904  -1.524   1.285  0.00  0.00    +0.160 C 
ATOM     22  O   LIG    1       -6.182  -2.329   0.143  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -5.289  -3.440   0.034  0.00  0.00    +0.160 C 
ATOM     24  C   LIG    1       -3.850  -3.090   0.411  0.00  0.00    +0.039 C 
ENDBRANCH   6  19
BRANCH   8  25
ATOM     25  C   LIG    1       -1.464  -0.303  -1.641  0.00  0.00    +0.152 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.059   1.093  -1.786  0.00  0.00    +0.190 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.233   1.368  -3.172  0.00  0.00    -0.290 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.772   2.663  -3.364  0.00  0.00    +0.524 C 
ATOM     29  F   LIG    1       -3.967   2.762  -2.752  0.00  0.00    -0.144 F 
ATOM     30  F   LIG    1       -1.933   3.590  -2.864  0.00  0.00    -0.144 F 
ATOM     31  F   LIG    1       -2.933   2.881  -4.682  0.00  0.00    -0.144 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 6