REMARK  Name = BDB015165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -0.665   0.141  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.423  -0.522   0.306  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.952   0.646   0.877  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1       -2.065   1.655   1.288  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.685   1.495   1.145  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.173   0.329   0.579  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.403   0.816   1.031  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -5.127   0.255   2.098  0.00  0.00    +0.049 A 
ATOM      9 CL   LIG    1       -4.360  -0.677   3.336  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -6.507   0.445   2.195  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -7.179   1.195   1.229  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -6.485   1.766   0.160  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -5.104   1.574   0.067  0.00  0.00    +0.056 A 
BRANCH  12  14
ATOM     14  O   LIG    1       -7.269   2.473  -0.707  0.00  0.00    -0.406 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -6.642   3.091  -1.817  0.00  0.00    +0.575 C 
ATOM     16  F   LIG    1       -6.053   2.175  -2.615  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       -7.582   3.737  -2.542  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1       -5.725   3.997  -1.416  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  O   LIG    1       -0.585  -1.841  -0.380  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.064  -1.649  -1.651  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.068  -2.791  -1.864  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.368  -4.046  -1.829  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -0.221  -4.001  -1.050  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.183  -2.820  -0.794  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.962  -1.573  -0.688  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        3.724  -1.567   0.578  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        4.647  -0.374   0.721  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.076   0.344  -0.409  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        5.954   1.425  -0.255  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.424   1.776   1.010  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.016   1.054   2.130  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.539  -0.009  -1.772  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.134  -0.018   1.987  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.893  -1.401  -1.814  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9