REMARK  Name = BDB052930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.864  -0.586  -2.713  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.967  -0.119  -1.582  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        1.910   0.415  -0.858  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.588   0.487  -1.472  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1       -0.521  -0.079  -0.556  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -0.363   0.199   0.894  0.00  0.00    -0.294 NA
ATOM      7  C   LIG    1        0.625   1.260   1.131  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        1.995   0.884   0.529  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        4.295  -0.190  -0.952  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1        5.036   0.967  -0.716  0.00  0.00    +0.147 A 
ATOM     11  F   LIG    1        4.531   2.168  -1.030  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        6.307   0.890  -0.147  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        6.837  -0.373   0.169  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.104  -1.535  -0.089  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.833  -1.446  -0.656  0.00  0.00    +0.016 A 
BRANCH  12  16
ATOM     16  C   LIG    1        7.067   2.157   0.108  0.00  0.00    +0.420 C 
ATOM     17  F   LIG    1        6.408   3.005   0.946  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        8.281   1.942   0.691  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.325   2.862  -1.026  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   2   9
BRANCH   6  20
ATOM     20  C   LIG    1       -1.653   0.515   1.534  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.654  -0.627   1.500  0.00  0.00    +0.057 A 
ATOM     22  N   LIG    1       -3.806  -0.419   0.811  0.00  0.00    -0.235 NA
ATOM     23  C   LIG    1       -4.722  -1.409   0.752  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.490  -2.641   1.365  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -3.308  -2.851   2.070  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.374  -1.828   2.141  0.00  0.00    +0.025 A 
BRANCH  23  27
ATOM     27  N   LIG    1       -5.929  -1.254   0.023  0.00  0.00    -0.285 N 
ATOM     28  H   LIG    1       -6.691  -1.717   0.506  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -6.199  -0.240  -0.837  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1       -7.484   0.021  -1.240  0.00  0.00    -0.264 N 
ATOM     31  H   LIG    1       -8.329  -0.463  -0.967  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -7.593   1.048  -2.101  0.00  0.00    -0.181 NA
ATOM     33  C   LIG    1       -6.329   1.448  -2.260  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1       -5.423   0.681  -1.505  0.00  0.00    +0.064 A 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6