REMARK  Name = BDB047715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.550   0.371   0.730  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.919  -1.641   1.913  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.995  -0.726   0.856  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.860  -0.028   0.427  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.630  -0.241   1.048  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.548  -1.156   2.098  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.680  -1.854   2.527  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.147  -2.393   2.375  0.00  0.00    +0.053 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.004  -1.722   3.487  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -5.542  -0.356   3.017  0.00  0.00    +0.023 C 
BRANCH   9  12
ATOM     11  C   LIG    1       -5.000  -1.006   5.984  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.203  -1.560   4.806  0.00  0.00    +0.015 C 
ENDBRANCH   9  12
BRANCH   9  13
ATOM     13  C   LIG    1       -6.195  -2.655   3.699  0.00  0.00    +0.311 C 
ATOM     14  O   LIG    1       -7.343  -2.470   3.330  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.877  -3.803   4.330  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.727  -4.288   4.381  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.537   1.282  -0.366  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.945   1.828  -0.573  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.954   0.721  -0.871  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.240   1.288  -1.129  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.629   1.500  -2.424  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.995   1.736  -2.645  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        7.132   1.733  -1.341  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.483   1.976  -3.935  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.613   1.997  -5.031  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        4.249   1.769  -4.811  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.762   1.527  -3.520  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.136   2.247  -6.425  0.00  0.00    +0.148 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.351   0.981  -7.236  0.00  0.00    +0.394 C 
ATOM     30  F   LIG    1        6.835   1.291  -8.463  0.00  0.00    -0.170 F 
ATOM     31  F   LIG    1        7.242   0.152  -6.651  0.00  0.00    -0.170 F 
ATOM     32  F   LIG    1        5.199   0.300  -7.422  0.00  0.00    -0.170 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13