REMARK  Name = BDB051107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.859  -1.321   0.026  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.593  -2.314   0.962  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.232  -3.491   0.925  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.318  -2.081   1.988  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.978  -0.852   2.067  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.745   0.150   1.112  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.195  -0.088   0.097  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.649  -2.541  -1.806  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.820  -1.585  -1.059  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.853  -0.683  -1.196  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        3.526   0.109  -0.156  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1        4.724   0.067  -1.056  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        5.268   1.357  -1.604  0.00  0.00    +0.092 C 
ATOM     14  N   LIG    1        6.347   1.253  -0.586  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1        7.280   1.491  -0.922  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        6.079  -0.205  -0.469  0.00  0.00    +0.092 C 
ATOM     17  C   LIG    1        4.080  -0.919  -1.971  0.00  0.00    +0.119 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -1.452   1.486   1.192  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.953   1.373   1.427  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1       -3.856   0.985   0.313  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -5.216   0.890   0.601  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -6.134   0.527  -0.392  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -5.685   0.257  -1.683  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.326   0.350  -1.980  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.683   1.175   1.967  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1       -6.870   1.107   2.266  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.714   1.521   2.877  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1       -5.019   1.724   3.824  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1       -3.411   0.715  -0.987  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1       -3.381   1.621   2.631  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3