REMARK  Name = BDB002639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.016  -2.615  -0.684  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.070  -1.651   0.072  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -1.672  -0.433  -0.191  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1       -1.674   0.269   0.546  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.362  -0.025  -1.356  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.973   1.248  -1.326  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -3.695   1.701  -2.434  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.792   0.904  -3.578  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.165  -0.341  -3.618  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.457  -0.808  -2.509  0.00  0.00    +0.027 A 
BRANCH   6  11
ATOM     11  O   LIG    1       -2.824   1.942  -0.148  0.00  0.00    -0.432 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.086   3.333  -0.190  0.00  0.00    +0.541 C 
ATOM     13  F   LIG    1       -2.692   3.845   1.000  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -4.417   3.534  -0.266  0.00  0.00    -0.166 F 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.438  -1.696   1.471  0.00  0.00    +0.328 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.432  -2.796   1.762  0.00  0.00    -0.453 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.551  -3.094   1.066  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        2.186  -4.114   1.331  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.038  -2.146  -0.030  0.00  0.00    +0.349 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.000  -0.752   0.232  0.00  0.00    -0.479 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.886  -0.224   1.136  0.00  0.00    +0.140 A 
ATOM     22  C   LIG    1        2.743   1.145   1.427  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        1.507   2.099   0.673  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        3.589   1.772   2.347  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        4.579   1.037   2.997  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.733  -0.317   2.712  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.897  -0.947   1.781  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 9