REMARK  Name = BDB047710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -2.666   0.531  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.782  -2.933  -0.909  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.188  -3.179  -0.966  0.00  0.00    -0.492 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -4.974  -0.131  -1.476  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -5.343  -1.472  -1.492  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.372  -2.458  -1.309  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.027  -2.114  -1.141  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.662  -0.766  -1.165  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.635   0.224  -1.348  0.00  0.00    +0.049 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.924   0.820  -1.708  0.00  0.00    -0.475 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -6.979   0.466   0.545  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -6.507   1.443  -0.541  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -5.560   2.494   0.052  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -7.755   2.161  -1.078  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -8.043   3.341  -0.938  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.601   1.350  -1.754  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -9.311   1.952  -2.060  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.139  -2.342   0.623  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.369  -1.124  -0.082  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.649  -0.642  -0.146  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        2.840   0.538  -0.887  0.00  0.00    +0.086 A 
ATOM     22 CL   LIG    1        1.515   1.325  -1.676  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        4.107   1.110  -1.010  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1        5.195   0.515  -0.377  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        5.026  -0.669   0.343  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        3.755  -1.241   0.465  0.00  0.00    +0.051 A 
BRANCH  24  27
ATOM     27  O   LIG    1        6.425   1.103  -0.560  0.00  0.00    -0.456 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.215   1.270   0.554  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        6.737   1.846   1.736  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        7.602   2.020   2.818  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        8.933   1.632   2.702  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        9.761   1.801   3.741  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        9.421   1.081   1.521  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        8.559   0.906   0.438  0.00  0.00    +0.049 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12