REMARK  Name = BDB009391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506   0.161  -0.073  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.293  -0.858  -0.997  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.768  -1.671  -0.894  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.177  -1.039  -2.055  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.299  -0.214  -2.173  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.550   0.791  -1.225  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.637   0.980  -0.177  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.642   0.993   0.674  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1        3.840   1.549   1.868  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1        2.547   0.775   2.104  0.00  0.00    +0.109 C 
ATOM     11  N   LIG    1        1.703   0.705   0.911  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        0.376   0.324   1.091  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.138   0.141   2.194  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.312   1.102  -0.357  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        3.726   0.546  -0.479  0.00  0.00    +0.030 C 
BRANCH   8  17
ATOM     16  O   LIG    1        5.396  -0.722   2.201  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1        5.544  -0.164   1.114  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.630  -0.650   0.203  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        7.055   0.064  -0.923  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        8.073  -0.444  -1.736  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        8.675  -1.663  -1.429  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        8.263  -2.377  -0.306  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        7.247  -1.873   0.507  0.00  0.00    +0.011 A 
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   6  24
ATOM     24  C   LIG    1       -3.781   1.664  -1.330  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.080   0.869  -1.352  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -5.635   0.349  -0.054  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1       -4.967   0.549   1.148  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1       -3.962   0.394   1.084  0.00  0.00    +0.146 HD
ATOM     29  C   LIG    1       -5.544   0.110   2.416  0.00  0.00    +0.102 C 
ATOM     30  C   LIG    1       -6.388  -1.144   2.208  0.00  0.00    +0.023 C 
ATOM     31  C   LIG    1       -7.420  -0.936   1.091  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -6.801  -0.311  -0.127  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -7.475  -0.497  -1.430  0.00  0.00    +0.270 A 
ATOM     34  O   LIG    1       -8.554  -1.075  -1.523  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -6.819   0.002  -2.525  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1       -7.270  -0.114  -3.426  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -5.644   0.689  -2.511  0.00  0.00    -0.174 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5