REMARK  Name = BDB002847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.025  -0.438  -0.702  0.00  0.00    +0.042 C 
ATOM      2  C   LIG    1       -3.467   0.930  -0.277  0.00  0.00    +0.118 C 
ATOM      3  C   LIG    1       -2.122   1.559   0.087  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.178   0.457  -0.125  0.00  0.00    -0.152 N 
ATOM      5  C   LIG    1        0.192   0.595  -0.001  0.00  0.00    +0.242 C 
ATOM      6  O   LIG    1        0.692   1.693   0.245  0.00  0.00    -0.273 OA
ATOM      7  N   LIG    1       -1.758  -0.692  -0.591  0.00  0.00    -0.183 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.163   2.090   1.545  0.00  0.00    +0.438 C 
ATOM      9  F   LIG    1       -2.318   1.079   2.435  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.215   2.929   1.722  0.00  0.00    -0.166 F 
ATOM     11  F   LIG    1       -1.054   2.774   1.894  0.00  0.00    -0.166 F 
ENDBRANCH   3   8
BRANCH   1  13
ATOM     12  C   LIG    1       -4.665  -2.165  -0.012  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -4.013  -1.459  -1.185  0.00  0.00    +0.049 C 
ENDBRANCH   1  13
BRANCH   3  14
ATOM     14  O   LIG    1       -1.821   2.577  -0.878  0.00  0.00    -0.363 OA
ATOM     15  H   LIG    1       -0.898   2.842  -0.678  0.00  0.00    +0.212 HD
ENDBRANCH   3  14
BRANCH   5  16
ATOM     16  C   LIG    1        1.001  -0.675  -0.232  0.00  0.00    +0.133 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.470  -0.530   0.097  0.00  0.00    -0.038 A 
ATOM     18  C   LIG    1        3.383  -0.136  -0.894  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.737   0.019  -0.590  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        5.182  -0.217   0.717  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        4.282  -0.604   1.717  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.929  -0.756   1.404  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.604  -0.055   1.042  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1        6.959  -0.277   2.209  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        7.370   0.289   0.130  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 6