REMARK  Name = BDB047265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.986  -0.121   0.511  0.00  0.00    +0.206 C 
ATOM      2  O   LIG    1       -5.664   0.261   0.922  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1       -4.656   0.081   0.015  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -4.779  -0.698  -1.136  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.683  -0.809  -2.001  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.474  -0.172  -1.704  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.349   0.587  -0.541  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -6.067  -1.388  -1.461  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -3.445   0.706   0.316  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -6.943  -1.478  -0.218  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.874   0.991   2.664  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -7.801  -0.280   1.820  0.00  0.00    +0.056 C 
ENDBRANCH   1  12
BRANCH   1  13
ATOM     13  C   LIG    1       -7.657   0.965  -0.377  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.137   2.021  -0.709  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.919   0.665  -0.780  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -9.286  -0.174  -0.449  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  17
ATOM     17  O   LIG    1       -1.227   1.252  -0.130  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.100   1.232  -1.006  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.019   2.058  -0.372  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.571   1.405   0.896  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.160   0.136   0.614  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.462   0.061   0.197  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        3.963  -1.224  -0.065  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        2.975  -2.633   0.127  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        5.282  -1.408  -0.495  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        6.129  -0.309  -0.675  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        5.630   0.972  -0.420  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.310   1.156   0.012  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.554  -0.506  -1.134  0.00  0.00    +0.038 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.477  -1.111  -0.058  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1        9.828  -1.475  -0.678  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        8.691  -0.155   1.119  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 11