REMARK  Name = BDB047514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.045   0.239   0.622  0.00  0.00    -0.486 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.596   0.504   0.428  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.095   0.473   0.617  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.435   0.275  -0.602  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.052   0.176  -0.670  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.317   0.302   0.512  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.983   0.522   1.731  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.416   0.174  -1.726  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.376   0.609   1.792  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.646   0.833  -1.086  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.260  -0.842   0.798  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.648   0.141   0.727  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.722  -1.005   0.339  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -5.207  -1.068   2.296  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.324  -0.229   3.174  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.049  -2.369   2.614  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.033  -2.376   3.594  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.785  -0.030  -0.570  0.00  0.00    +0.288 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.243  -0.117  -0.269  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        3.868  -0.670   0.829  0.00  0.00    +0.235 A 
ATOM     21  O   LIG    1        5.220  -0.507   0.663  0.00  0.00    -0.431 OA
ATOM     22  C   LIG    1        5.345   0.137  -0.540  0.00  0.00    +0.228 A 
ATOM     23  N   LIG    1        4.193   0.384  -1.136  0.00  0.00    -0.210 NA
BRANCH  22  24
ATOM     24  C   LIG    1        6.701   0.454  -0.982  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        7.830   0.092  -0.232  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        9.116   0.410  -0.679  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        9.289   1.091  -1.882  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.178   1.458  -2.638  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.893   1.141  -2.191  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
BRANCH  20  30
ATOM     30  C   LIG    1        3.376  -1.343   2.045  0.00  0.00    +0.452 C 
ATOM     31  F   LIG    1        4.345  -2.069   2.663  0.00  0.00    -0.163 F 
ATOM     32  F   LIG    1        2.368  -2.212   1.768  0.00  0.00    -0.163 F 
ATOM     33  F   LIG    1        2.902  -0.466   2.966  0.00  0.00    -0.163 F 
ENDBRANCH  20  30
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9