REMARK  Name = BDB016331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.240   1.818  -1.968  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.152   1.963  -0.449  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.070   1.158   0.079  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.397   1.687   0.649  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.104  -0.191   0.423  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.198  -1.063   0.234  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.039  -2.451   0.446  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.836  -2.997   0.885  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.755  -2.162   1.103  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.507  -0.702  -0.139  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.150  -1.452  -0.363  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.144   0.496  -0.154  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.329   0.529  -0.496  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.878  -0.786   0.852  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.443   1.736   0.299  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.332   0.064   1.066  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        1.486  -0.427   0.481  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        1.377  -1.235  -0.119  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.206   1.110   1.694  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.782   0.129   0.544  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.786  -0.500  -0.213  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        5.099  -0.018  -0.202  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1        5.407   1.100   0.575  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.419   1.728   1.331  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.111   1.243   1.316  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1        6.162  -0.534  -0.889  0.00  0.00    -0.406 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.939  -1.674  -1.699  0.00  0.00    +0.575 C 
ATOM     28  F   LIG    1        5.042  -1.412  -2.674  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1        5.505  -2.719  -0.961  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1        7.104  -2.028  -2.284  0.00  0.00    -0.133 F 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 4