REMARK  Name = BDB002295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.993  -0.288   1.349  0.00  0.00    +0.216 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.364  -0.058   0.859  0.00  0.00    -0.276 N 
ATOM      3  C   LIG    1       -1.077  -0.944   0.071  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.776  -2.073  -0.263  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -2.318  -0.260  -0.309  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -2.290   1.025   0.234  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -3.346   1.893   0.024  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -4.428   1.442  -0.742  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.442   0.143  -1.285  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.373  -0.728  -1.070  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -1.021   1.229   0.989  0.00  0.00    +0.145 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1        2.026  -0.166   0.235  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        2.749   1.033   0.085  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.683   1.179  -0.944  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        3.894   0.133  -1.832  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        4.789   0.276  -2.819  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        3.189  -1.057  -1.713  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.256  -1.205  -0.685  0.00  0.00    +0.009 A 
ENDBRANCH   1  12
BRANCH   1  20
ATOM     19  O   LIG    1        0.173  -1.963   2.965  0.00  0.00    -0.249 OA
ATOM     20  C   LIG    1        1.064  -1.546   2.234  0.00  0.00    +0.330 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.270  -2.152   2.269  0.00  0.00    -0.479 OA
ATOM     22  H   LIG    1        2.125  -2.918   2.862  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4