REMARK  Name = BDB052864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.115  -3.924   0.566  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.350  -2.712   0.380  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.426  -1.849  -0.646  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.595  -0.859  -0.640  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -0.763  -1.005   0.614  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.341  -2.317   1.209  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -0.976  -2.907   2.219  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.735  -1.159   0.272  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        1.219  -0.869  -1.024  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        2.577  -0.987  -1.338  0.00  0.00    +0.156 A 
ATOM     11  C   LIG    1        3.462  -1.384  -0.334  0.00  0.00    +0.165 A 
ATOM     12  F   LIG    1        4.773  -1.497  -0.596  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        3.017  -1.666   0.953  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        1.661  -1.552   1.256  0.00  0.00    +0.010 A 
BRANCH  10  15
ATOM     15  O   LIG    1        3.146  -0.729  -2.555  0.00  0.00    -0.489 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.306  -0.440  -3.673  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.011   1.054  -3.770  0.00  0.00    +0.074 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.274   1.853  -4.038  0.00  0.00    +0.216 C 
ATOM     19  F   LIG    1        3.741   1.534  -5.276  0.00  0.00    -0.249 F 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   5   8
BRANCH   5  20
ATOM     20  C   LIG    1       -0.991   0.230   1.510  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -1.085   1.506   0.922  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.268   2.658   1.697  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -1.345   2.562   3.084  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -1.254   1.304   3.681  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -1.069   0.153   2.908  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -1.526   3.600   3.953  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.237   4.893   3.451  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1       -2.241   5.288   2.629  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -1.244   5.748   4.506  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   5  20
BRANCH   3  30
ATOM     30  N   LIG    1       -3.330  -2.002  -1.642  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1       -4.222  -2.405  -1.387  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -3.427  -1.166  -2.209  0.00  0.00    +0.145 HD
ENDBRANCH   3  30
TORSDOF 9