REMARK  Name = BDB008882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041  -0.167  -0.455  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.195  -0.425  -1.812  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.157   0.177  -2.526  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.349  -1.324  -2.452  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.672  -1.952  -1.733  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.865  -1.671  -0.369  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.011  -0.778   0.270  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.384   1.847   0.612  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.909   0.806   0.221  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        3.258   0.509   0.406  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        4.087   1.553   1.020  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        5.611   1.309   1.006  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1        6.276   1.180  -0.297  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        6.553   2.110  -0.616  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.471   0.568  -1.354  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        4.844  -0.787  -1.023  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        3.874  -0.795   0.158  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -1.970  -2.366   0.394  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.740  -1.458   1.349  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.670  -0.421   0.801  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.890  -0.281  -0.680  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.107   0.580  -1.032  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.157   1.837  -0.171  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.225   1.481   1.315  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.290   0.366   1.697  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.064   0.163   3.150  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.635   0.844   3.995  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -3.191  -0.835   3.486  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.019  -0.986   4.474  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.525  -1.642   2.618  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3