REMARK  Name = BDB065113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.143  -0.123   0.520  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        2.951  -0.322   1.847  0.00  0.00    +0.105 C 
ATOM      3  O   LIG    1        4.287   0.200   1.819  0.00  0.00    -0.367 OA
ATOM      4  C   LIG    1        3.386   0.828   2.744  0.00  0.00    +0.196 C 
ATOM      5  C   LIG    1        2.846  -1.682   2.495  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        1.392  -2.059   2.751  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1        0.454  -1.822   1.560  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        0.640  -0.406   0.957  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1       -0.471   0.091  -0.061  0.00  0.00    -0.022 C 
ATOM     10  C   LIG    1       -0.362  -0.666  -1.402  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.307   1.655  -0.218  0.00  0.00    -0.004 C 
ATOM     12  C   LIG    1       -0.620   2.209  -1.617  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        1.043   2.215   0.297  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1        2.265   1.356  -0.043  0.00  0.00    +0.189 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        2.776  -1.086  -0.557  0.00  0.00    +0.245 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.549  -2.479  -0.314  0.00  0.00    -0.464 OA
BRANCH  16  18
ATOM     17  C   LIG    1        2.806  -4.738  -0.873  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1        3.080  -3.314  -1.250  0.00  0.00    +0.304 C 
ATOM     19  O   LIG    1        3.683  -2.967  -2.254  0.00  0.00    -0.251 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1       -1.895  -0.255   0.541  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.167   0.305  -0.145  0.00  0.00    +0.207 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.364  -0.506   0.270  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -4.709  -1.758  -0.440  0.00  0.00    +0.267 C 
ATOM     24  O   LIG    1       -5.885  -2.226   0.219  0.00  0.00    -0.457 OA
ATOM     25  C   LIG    1       -6.231  -1.345   1.195  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1       -7.184  -1.444   1.944  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1       -5.263  -0.251   1.220  0.00  0.00    +0.097 C 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1       -3.360   1.665   0.287  0.00  0.00    -0.457 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.048   2.469  -0.571  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -4.505   2.128  -1.652  0.00  0.00    -0.251 OA
ATOM     31  C   LIG    1       -4.160   3.848   0.001  0.00  0.00    +0.136 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   9  20
BRANCH  14  32
ATOM     32  O   LIG    1        2.438   1.367  -1.481  0.00  0.00    -0.461 OA
BRANCH  32  33
ATOM     33  C   LIG    1        3.100   2.428  -2.020  0.00  0.00    +0.304 C 
ATOM     34  O   LIG    1        3.513   3.399  -1.403  0.00  0.00    -0.251 OA
ATOM     35  C   LIG    1        3.240   2.241  -3.499  0.00  0.00    +0.136 C 
ENDBRANCH  32  33
ENDBRANCH  14  32
TORSDOF 10