REMARK  Name = BDB064953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -0.390   1.345  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.472   0.125   0.479  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.679   0.705   0.938  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -1.850   0.750   2.335  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.886   0.252   3.215  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.286  -0.315   2.721  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.200  -1.234   0.735  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        3.110  -0.570   1.302  0.00  0.00    +0.260 A 
ATOM      9  O   LIG    1        3.223   0.307   2.156  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.746  -0.999   0.813  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.669  -1.977  -0.110  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.850  -2.615  -0.661  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        4.056  -2.224  -0.224  0.00  0.00    +0.102 A 
BRANCH  12  14
ATOM     14  C   LIG    1        2.656  -3.686  -1.697  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        2.026  -3.213  -2.800  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        1.905  -4.712  -1.221  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        3.830  -4.226  -2.116  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
BRANCH   7  18
ATOM     18  C   LIG    1        5.546  -0.831   1.142  0.00  0.00    +0.213 C 
BRANCH  18  21
ATOM     19  C   LIG    1        7.304   1.558  -1.741  0.00  0.00    +0.106 C 
ATOM     20  C   LIG    1        6.690   0.708  -0.721  0.00  0.00    -0.104 C 
ATOM     21  C   LIG    1        6.178   0.016   0.117  0.00  0.00    -0.081 C 
ENDBRANCH  18  21
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  C   LIG    1       -2.769   1.258  -0.108  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1       -3.851   2.279   0.381  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.578   3.165  -0.852  0.00  0.00    -0.012 C 
ATOM     25  C   LIG    1       -4.604   3.106  -1.972  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -2.262   2.392  -1.068  0.00  0.00    +0.022 C 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.403   0.023  -0.884  0.00  0.00    +0.144 A 
ATOM     28  N   LIG    1       -4.147  -1.000  -0.363  0.00  0.00    -0.320 N 
ATOM     29  C   LIG    1       -4.532  -1.215   1.004  0.00  0.00    +0.151 C 
ATOM     30  C   LIG    1       -4.436  -1.825  -1.406  0.00  0.00    +0.224 A 
ATOM     31  N   LIG    1       -3.897  -1.351  -2.504  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -3.236  -0.192  -2.174  0.00  0.00    -0.134 NA
ENDBRANCH  22  27
ENDBRANCH   3  22
TORSDOF 6