REMARK  Name = BDB009248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.295   0.829  -1.544  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.551  -0.266  -1.319  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.677  -0.478  -2.133  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.928   0.409  -3.189  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.096   1.508  -3.406  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.008   1.722  -2.582  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.924   2.237  -0.584  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.490   1.095  -0.694  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.076   0.002  -0.091  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.796  -0.930  -0.364  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.280   0.141   0.707  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.537   0.267  -0.158  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.785   0.381   0.682  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.548  -0.756   0.985  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        7.692  -0.645   1.777  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        8.070   0.600   2.266  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        9.168   0.704   3.027  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.324   1.737   1.981  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        6.180   1.629   1.190  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.587  -1.665  -1.908  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.013  -1.844  -0.454  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.026  -0.917   0.143  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.665   0.167  -0.679  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.899   0.785  -0.013  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.648   1.050   1.467  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.293  -0.243   2.203  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.328  -1.108   1.440  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.691  -2.214   2.198  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.961  -2.433   3.374  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.791  -2.975   1.503  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.348  -3.739   2.005  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.438  -2.809   0.201  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6