REMARK  Name = BDB049640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.795   0.490  -1.192  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.702  -0.526  -0.882  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.913  -0.446  -1.536  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.872  -0.056  -2.464  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.423  -1.436  -0.106  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.080  -1.181  -1.236  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.286  -1.836  -0.017  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.480  -2.536   0.240  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.470  -2.574  -0.750  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -6.267  -1.909  -1.952  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -7.223  -1.939  -2.889  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.090  -1.210  -2.201  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.671  -3.258   1.550  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.071  -4.479   1.564  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -6.982  -3.484   1.845  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.168  -2.574   2.614  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.480  -0.942   1.220  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.020   0.427   1.432  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.600   0.657   0.913  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.567   0.434  -0.605  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.362  -0.816  -1.032  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.805  -1.679   0.151  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.925  -1.192   1.353  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.436  -0.697   2.714  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.755  -0.626   0.178  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.987  -0.531  -0.994  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.243  -0.987   0.253  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.166   1.758  -1.839  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.391   2.889  -0.862  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.436   2.832   0.073  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.642   3.880   0.971  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.810   4.998   0.942  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.772   5.069   0.015  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.564   4.021  -0.883  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8