REMARK  Name = BDB047273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.121   1.129  -1.409  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.849   0.164  -2.173  0.00  0.00    -0.492 OA
BRANCH   2  10
ATOM      3  C   LIG    1        7.602   0.947   2.030  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1        6.932  -0.080   1.107  0.00  0.00    +0.203 C 
ATOM      5  O   LIG    1        5.730   0.550   0.639  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1        5.139  -0.018  -0.459  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        5.785  -0.928  -1.300  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        5.085  -1.455  -2.390  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        3.771  -1.055  -2.641  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.134  -0.129  -1.812  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        7.194  -1.364  -1.032  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        3.828   0.389  -0.720  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        7.871  -0.406  -0.063  0.00  0.00    +0.064 C 
BRANCH   4  14
ATOM     14  C   LIG    1        6.611  -1.315   1.970  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1        5.520  -1.658   2.399  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1        7.702  -2.049   2.287  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        7.337  -2.770   2.843  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.438   0.460  -0.217  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.299   1.466   0.660  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.246   2.227  -0.084  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.513   1.744  -0.273  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -3.406   2.576  -0.965  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1       -2.921   4.134  -1.542  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -4.721   2.169  -1.210  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.170   0.922  -0.775  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1       -4.290   0.091  -0.087  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -2.970   0.498   0.162  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -6.474   0.654  -1.077  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -7.007  -0.638  -0.779  0.00  0.00    +0.232 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.559  -0.660   0.637  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1       -8.445  -1.881   1.000  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -9.306  -0.913   1.839  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -8.810   0.217   0.913  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11