REMARK  Name = BDB064948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.090   1.127   0.405  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.254   0.766   0.158  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.335   1.324   0.866  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.073   2.280   1.851  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.237   2.660   2.127  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.294   2.089   1.416  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.723   0.912   0.577  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.798   1.920   0.270  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1        3.591   3.127   0.227  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        5.053   1.407   0.034  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1        5.767   2.097  -0.175  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        5.368   0.073   0.066  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1        4.423  -0.842   0.345  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        3.071  -0.390   0.611  0.00  0.00    +0.061 A 
BRANCH  13  15
ATOM     15  O   LIG    1        4.556  -2.203   0.420  0.00  0.00    -0.404 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.839  -2.761   0.182  0.00  0.00    +0.575 C 
ATOM     17  F   LIG    1        6.735  -2.303   1.081  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        6.265  -2.470  -1.065  0.00  0.00    -0.133 F 
ATOM     19  F   LIG    1        5.760  -4.103   0.303  0.00  0.00    -0.133 F 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.338   0.498  -0.395  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1       -2.088  -0.210  -1.770  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.264   0.571  -2.391  0.00  0.00    -0.012 C 
ATOM     23  C   LIG    1       -4.556  -0.202  -2.605  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -3.214   1.532  -1.188  0.00  0.00    +0.022 C 
BRANCH  20  27
ATOM     25  C   LIG    1       -1.499  -2.162   1.239  0.00  0.00    +0.151 C 
ATOM     26  N   LIG    1       -2.787  -1.528   1.267  0.00  0.00    -0.320 N 
ATOM     27  C   LIG    1       -3.192  -0.403   0.600  0.00  0.00    +0.144 A 
ATOM     28  N   LIG    1       -4.439  -0.140   0.939  0.00  0.00    -0.134 NA
ATOM     29  N   LIG    1       -4.859  -1.111   1.816  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1       -3.855  -1.933   2.006  0.00  0.00    +0.224 A 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5