REMARK  Name = BDB051115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970   1.462   0.899  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.035   1.032   2.221  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.175   0.555   2.739  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.088   1.106   3.038  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.283   1.624   2.534  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.363   2.079   1.207  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.218   2.011   0.399  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -2.515   2.470  -0.503  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.148   1.417   0.016  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.749   0.199  -0.244  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -3.932   0.143  -1.091  0.00  0.00    +0.117 C 
ATOM     12  C   LIG    1       -4.314  -1.332  -1.021  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.493  -1.656  -0.069  0.00  0.00    +0.090 C 
ATOM     14  N   LIG    1       -6.400  -1.653  -1.236  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -6.867  -0.756  -1.381  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.244  -1.867  -2.129  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1       -3.015  -2.079  -0.751  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -2.295  -1.119   0.179  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  C   LIG    1        2.649   2.670   0.672  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.833   1.718   0.785  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        4.022   0.639  -0.220  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        5.109  -0.214  -0.038  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        5.356  -1.260  -0.937  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.508  -1.451  -2.026  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.421  -0.600  -2.216  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.005  -0.004   1.110  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        6.971  -0.730   1.310  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        5.693   1.049   1.935  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        6.302   1.211   2.731  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        3.176   0.444  -1.318  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        4.636   1.892   1.794  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3