REMARK  Name = BDB047266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.225   0.277   0.858  0.00  0.00    +0.206 C 
ATOM      2  O   LIG    1        5.994   0.895   1.304  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1        4.821   0.309   0.917  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        4.738  -0.958   0.340  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1        3.483  -1.452  -0.035  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.324  -0.700   0.190  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.408   0.553   0.793  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        5.972  -1.771   0.093  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1        3.663   1.052   1.151  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        7.121  -1.254   0.943  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.758   0.243  -1.246  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        7.553   0.852  -0.541  0.00  0.00    +0.056 C 
ENDBRANCH   1  12
BRANCH   1  13
ATOM     13  C   LIG    1        8.282   0.784   1.854  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        8.217   1.771   2.572  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        9.412   0.041   1.879  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        9.966   0.502   2.546  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  17
ATOM     17  O   LIG    1        1.365   1.392   1.070  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.029   0.923   0.875  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.441   1.239  -0.544  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.824   0.668  -0.833  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.754   1.212   0.100  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.047   0.764   0.053  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -4.909   1.204   1.066  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1       -4.351   2.256   2.324  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -6.252   0.801   1.099  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -6.780  -0.054   0.119  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -5.902  -0.483  -0.894  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.559  -0.082  -0.929  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.248  -0.517   0.120  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -9.078   0.040   1.299  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -8.938  -0.056  -1.181  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -8.306  -2.057   0.208  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 10