REMARK  Name = BDB042815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.735  -2.113  -0.467  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.622  -1.602  -0.461  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.420  -2.402  -0.195  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.183  -1.764  -0.176  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.004  -2.467   0.090  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.259  -1.853   0.057  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        0.931  -2.384   0.610  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.251  -0.412   0.377  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.761   0.340  -0.534  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -1.094  -3.854   0.258  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.336  -4.489   0.237  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -2.396  -5.814   0.424  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.140  -0.324  -0.468  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -3.210   0.371  -0.731  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.506  -3.776   0.023  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -4.415  -0.264  -0.701  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -5.232   0.305  -0.903  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.848   1.827  -0.227  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -1.226   2.299   1.035  0.00  0.00    +0.133 A 
ATOM     20  F   LIG    1       -1.499   1.429   2.018  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -1.324   3.659   1.307  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -1.042   4.568   0.297  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -1.132   5.880   0.549  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -0.667   4.140  -0.968  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -0.577   2.775  -1.219  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1       -0.208   2.373  -2.443  0.00  0.00    -0.205 F 
ENDBRANCH   9  18
BRANCH   8  27
ATOM     27  C   LIG    1        1.705   0.149   0.265  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1        2.663  -0.480   1.292  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1        4.028   0.219   1.319  0.00  0.00    +0.076 C 
ATOM     30  C   LIG    1        4.389   0.882  -0.003  0.00  0.00    +0.249 C 
ATOM     31  F   LIG    1        3.908   2.153  -0.011  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1        5.736   0.983  -0.104  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1        3.830   0.139  -1.199  0.00  0.00    +0.076 C 
ATOM     34  C   LIG    1        2.300   0.051  -1.159  0.00  0.00    +0.011 C 
ENDBRANCH   8  27
TORSDOF 2