REMARK  Name = BDB049541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -3.226  -1.855  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1       -0.002  -2.992  -0.702  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.246  -1.827   0.172  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1        0.850  -1.033   0.481  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.575   0.181   1.250  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        1.780   0.636   2.066  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        3.023   0.769   1.176  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        3.288  -0.560   0.456  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        2.065  -1.005  -0.340  0.00  0.00    +0.108 C 
ATOM     10  O   LIG    1       -1.385  -1.638   0.593  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.238   1.244   1.954  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        4.862   2.452   1.599  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        5.981   2.907   2.299  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        6.481   2.157   3.355  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        7.555   2.594   4.026  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.882   0.960   3.726  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.763   0.503   3.027  0.00  0.00    +0.007 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  20
ATOM     18  N   LIG    1       -2.550  -1.724  -1.787  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -2.437  -1.807  -0.775  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -1.656  -2.401  -2.574  0.00  0.00    +0.241 C 
ATOM     21  O   LIG    1       -1.628  -2.436  -3.801  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1       -5.440   0.567  -1.523  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -4.370  -0.279  -1.198  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -3.613  -0.895  -2.203  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -3.945  -0.659  -3.538  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.021   0.170  -3.868  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.772   0.782  -2.865  0.00  0.00    +0.013 A 
BRANCH  22  31
ATOM     28  N   LIG    1       -6.899   2.340  -0.693  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -7.300   2.814   0.106  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -6.706   2.897  -1.512  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1       -6.204   1.195  -0.413  0.00  0.00    +0.242 C 
ATOM     32  O   LIG    1       -6.191   0.736   0.722  0.00  0.00    -0.270 OA
ENDBRANCH  22  31
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 5