REMARK  Name = BDB042792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.227   0.564  -0.473  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.482   1.422   0.607  0.00  0.00    +0.115 C 
ATOM      3  N   LIG    1       -1.036   0.593   1.687  0.00  0.00    -0.336 N 
ATOM      4  H   LIG    1       -1.429   1.140   2.452  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.813  -0.500   1.302  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.613  -1.151   0.081  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.346  -2.280  -0.269  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.288  -2.808   0.613  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.461  -2.193   1.845  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -4.344  -2.699   2.715  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.096  -2.903  -1.576  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -2.725  -3.890  -1.937  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -1.126  -2.313  -2.351  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -0.940  -2.726  -3.260  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -0.382  -1.221  -2.017  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -2.726  -1.062   2.200  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.599  -0.661  -0.863  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.526   2.436   0.161  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -2.249   2.369  -1.033  0.00  0.00    +0.134 A 
ATOM     20  F   LIG    1       -2.059   1.367  -1.897  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.198   3.332  -1.374  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -3.439   4.387  -0.508  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -4.350   5.313  -0.831  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.752   4.491   0.690  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -1.810   3.519   1.010  0.00  0.00    +0.134 A 
ATOM     26  F   LIG    1       -1.165   3.625   2.181  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  31
ATOM     27  C   LIG    1        5.541  -1.254   0.872  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        4.225  -0.676   0.614  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1        3.160  -1.460   1.236  0.00  0.00    +0.084 C 
ATOM     30  C   LIG    1        1.825  -0.699   1.181  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        1.689   0.198  -0.068  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        2.513  -0.408  -1.213  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        4.000  -0.511  -0.831  0.00  0.00    +0.084 C 
ENDBRANCH   1  31
TORSDOF 2