REMARK  Name = BDB046638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320   0.386   0.010  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1        0.913  -0.535  -0.115  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.623  -1.744  -0.912  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        1.456  -2.323  -1.014  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.481  -2.476  -0.451  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.579  -1.852   0.151  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.718  -2.575   0.496  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.784  -3.946   0.253  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.709  -4.564  -0.367  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -1.767  -5.875  -0.635  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.860  -1.856   1.075  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -4.872  -2.450   1.426  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.727  -0.492   1.171  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.505   0.024   1.572  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -2.623   0.234   0.839  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -0.575  -3.842  -0.738  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.576  -0.399   0.389  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.086   0.187  -0.780  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        2.118   0.410  -2.169  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.188   1.089  -2.754  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.226   1.552  -1.955  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        5.250   2.207  -2.518  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.214   1.351  -0.581  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.146   0.670   0.007  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1       -1.202   3.350  -0.132  0.00  0.00    +0.150 C 
ATOM     26  N   LIG    1       -0.478   2.750   0.962  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -0.075   1.438   1.065  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        0.564   1.244   2.207  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        0.563   2.452   2.850  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -0.072   3.404   2.092  0.00  0.00    +0.106 A 
ENDBRANCH   1  27
TORSDOF 2