REMARK  Name = BDB046639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011   1.149   0.294  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1        1.107   0.729  -0.713  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.538  -0.069  -1.832  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.065   0.570  -2.373  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.264  -1.154  -1.419  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.903  -1.190  -0.176  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.698  -2.266   0.199  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.921  -3.316  -0.691  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.337  -3.256  -1.951  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -1.557  -4.248  -2.823  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.282  -2.267   1.547  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -2.985  -3.192   1.936  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -1.983  -1.181   2.340  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -2.384  -1.170   3.273  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -1.260  -0.084   1.967  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -0.524  -2.186  -2.324  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.755  -0.075   0.767  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.341   0.009  -0.154  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        3.375  -0.336  -1.051  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        4.532  -0.982  -0.611  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.670  -1.286   0.735  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        5.777  -1.905   1.163  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        3.674  -0.957   1.644  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        2.514  -0.310   1.205  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1       -1.888   3.111   1.817  0.00  0.00    +0.150 C 
ATOM     26  N   LIG    1       -1.798   2.960   0.385  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -0.981   2.107  -0.325  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1       -1.194   2.247  -1.623  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -2.165   3.203  -1.750  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -2.554   3.659  -0.516  0.00  0.00    +0.106 A 
ENDBRANCH   1  27
TORSDOF 2