REMARK  Name = BDB065118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777  -0.674   0.618  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        0.784   0.180   1.915  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1        0.232   1.577   1.688  0.00  0.00    +0.036 C 
ATOM      4  C   LIG    1       -1.223   1.602   1.190  0.00  0.00    -0.005 C 
ATOM      5  C   LIG    1       -1.551   3.096   0.994  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -1.511   0.665  -0.047  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1       -1.170   1.381  -1.374  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1        1.173  -2.161   0.890  0.00  0.00    +0.104 C 
ATOM      9  O   LIG    1        2.352  -2.343   1.690  0.00  0.00    -0.367 OA
ATOM     10  C   LIG    1        1.126  -2.803   2.272  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1        1.088  -3.087  -0.294  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -0.329  -3.081  -0.847  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -0.836  -1.665  -1.137  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -0.717  -0.724   0.100  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   2  15
ATOM     15  O   LIG    1        2.087   0.338   2.477  0.00  0.00    -0.391 OA
ATOM     16  H   LIG    1        2.593  -0.471   2.263  0.00  0.00    +0.210 HD
ENDBRANCH   2  15
BRANCH   1  17
ATOM     17  C   LIG    1        1.767  -0.085  -0.440  0.00  0.00    +0.245 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.130  -0.191   0.007  0.00  0.00    -0.461 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.052   0.271  -0.875  0.00  0.00    +0.335 C 
ATOM     20  O   LIG    1        3.799   0.733  -1.978  0.00  0.00    -0.245 OA
BRANCH  19  23
ATOM     21  C   LIG    1        7.920   0.311  -0.856  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        6.455   0.384  -1.144  0.00  0.00    -0.020 C 
ATOM     23  C   LIG    1        5.429   0.121  -0.308  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        5.548  -0.285   1.131  0.00  0.00    +0.051 C 
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   6  25
ATOM     25  C   LIG    1       -3.051   0.257  -0.118  0.00  0.00    +0.043 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.148   1.332  -0.049  0.00  0.00    +0.145 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.467   0.810  -0.518  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.171  -0.295   0.169  0.00  0.00    +0.266 C 
ATOM     29  O   LIG    1       -7.367  -0.475  -0.592  0.00  0.00    -0.457 OA
ATOM     30  C   LIG    1       -7.385   0.420  -1.615  0.00  0.00    +0.332 C 
ATOM     31  O   LIG    1       -8.263   0.536  -2.450  0.00  0.00    -0.246 OA
ATOM     32  C   LIG    1       -6.174   1.236  -1.563  0.00  0.00    +0.096 C 
ENDBRANCH  26  27
BRANCH  26  33
ATOM     33  O   LIG    1       -4.330   1.733   1.302  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1       -4.889   2.530   1.295  0.00  0.00    +0.210 HD
ENDBRANCH  26  33
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 9