REMARK  Name = BDB046634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.277   1.000   0.350  0.00  0.00    +0.135 C 
ATOM      2  C   LIG    1       -0.223  -0.540   0.481  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1        1.230  -0.975   0.545  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        2.208  -0.196  -0.230  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.511  -0.673  -0.304  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        3.862  -1.872   0.470  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        2.856  -2.418   1.236  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        3.079  -3.262   1.755  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        4.998  -2.330   0.447  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.457  -0.001  -1.074  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        4.067   1.143  -1.759  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.961   1.791  -2.518  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.766   1.640  -1.664  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        1.823   0.998  -0.858  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        1.551  -2.015   1.258  0.00  0.00    -0.174 NA
ATOM     16  N   LIG    1        0.511   1.482  -0.790  0.00  0.00    -0.334 N 
ATOM     17  H   LIG    1        0.421   2.480  -0.963  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -1.917   2.011   2.794  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -2.383   1.929   1.428  0.00  0.00    -0.270 N 
ATOM     20  C   LIG    1       -1.688   1.510   0.320  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1       -2.564   1.661  -0.739  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.754   2.135  -0.167  0.00  0.00    +0.134 A 
ATOM     23  N   LIG    1       -3.652   2.282   1.155  0.00  0.00    -0.180 NA
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -0.878  -1.295  -0.641  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -2.080  -1.949  -0.537  0.00  0.00    -0.251 N 
ATOM     26  C   LIG    1       -2.937  -2.086   0.613  0.00  0.00    +0.174 C 
ATOM     27  N   LIG    1       -2.421  -2.532  -1.700  0.00  0.00    -0.158 NA
ATOM     28  C   LIG    1       -1.382  -2.217  -2.473  0.00  0.00    +0.245 A 
ATOM     29  N   LIG    1       -0.418  -1.468  -1.868  0.00  0.00    -0.219 NA
ENDBRANCH   2  24
TORSDOF 2