REMARK  Name = BDB007015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477   0.431   1.226  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.205   0.698   0.076  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.606   0.617  -0.045  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -2.997   0.943  -1.338  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -4.337   0.923  -1.650  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1       -5.286   0.594  -0.749  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1       -4.888   0.267   0.523  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -1.827   1.314  -2.205  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.753   0.462  -3.474  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -1.867   2.805  -2.561  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -3.545   0.278   0.909  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -0.641   1.006  -1.253  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.978   0.096   2.303  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -5.931  -0.092   1.585  0.00  0.00    +0.293 C 
ATOM     15  F   LIG    1       -6.068   0.901   2.517  0.00  0.00    -0.198 F 
ATOM     16  F   LIG    1       -5.568  -1.203   2.301  0.00  0.00    -0.198 F 
BRANCH  14  17
ATOM     17  C   LIG    1       -7.299  -0.333   0.993  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -8.324  -1.181   1.714  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -7.703  -1.682   0.439  0.00  0.00    +0.010 C 
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1        1.053   0.572   1.125  0.00  0.00    +0.181 C 
BRANCH  20  27
ATOM     21  C   LIG    1        1.967  -3.468   2.891  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        2.221  -2.064   2.340  0.00  0.00    +0.065 C 
ATOM     23  N   LIG    1        3.673  -1.887   2.141  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1        4.009  -2.630   1.529  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        3.948  -0.592   1.490  0.00  0.00    +0.101 C 
ATOM     26  C   LIG    1        3.139  -0.380   0.177  0.00  0.00    +0.088 C 
ATOM     27  N   LIG    1        1.662  -0.543   0.356  0.00  0.00    -0.287 NA
ATOM     28  C   LIG    1        1.422  -1.850   1.025  0.00  0.00    +0.103 C 
BRANCH  26  29
ATOM     29  C   LIG    1        3.531   0.950  -0.515  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  N   LIG    1        4.892   0.956  -1.032  0.00  0.00    -0.300 N 
ATOM     31  C   LIG    1        5.908   1.752  -0.526  0.00  0.00    +0.216 C 
ATOM     32  O   LIG    1        5.847   2.466   0.460  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1        7.097   1.620  -1.445  0.00  0.00    +0.097 C 
ATOM     34  C   LIG    1        6.773   0.367  -2.250  0.00  0.00    +0.028 C 
ATOM     35  C   LIG    1        5.257   0.331  -2.278  0.00  0.00    +0.108 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 6