REMARK  Name = BDB056501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.754   0.350  -2.291  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.574  -0.678  -1.641  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -2.671  -0.331  -0.793  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -3.354  -1.336  -0.100  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -4.429  -1.041   0.752  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.846   0.277   0.910  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.196   1.290   0.212  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.945  -2.737  -0.281  0.00  0.00    +0.262 A 
ATOM      9  O   LIG    1       -3.498  -3.655   0.314  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -1.931  -2.951  -1.170  0.00  0.00    -0.274 N 
ATOM     11  H   LIG    1       -1.667  -3.908  -1.343  0.00  0.00    +0.173 HD
ATOM     12  C   LIG    1       -3.122   0.989  -0.636  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.258  -2.010  -1.897  0.00  0.00    +0.330 A 
ATOM     14  O   LIG    1       -0.445  -2.382  -2.741  0.00  0.00    -0.246 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.123   1.176  -1.343  0.00  0.00    +0.118 C 
BRANCH  15  17
ATOM     16  O   LIG    1        1.428  -0.797  -0.860  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        1.257   0.402  -0.692  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        2.034   1.228   0.104  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.777   2.208   0.167  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.168   0.872   0.868  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        3.784   1.893   1.605  0.00  0.00    +0.144 A 
ATOM     22  F   LIG    1        3.280   3.138   1.554  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.907   1.655   2.392  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.437   0.369   2.452  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.838  -0.661   1.725  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.708  -0.412   0.935  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4