REMARK  Name = BDB065115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.242   0.606  -0.251  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -1.561   2.144  -0.399  0.00  0.00    +0.105 C 
ATOM      3  O   LIG    1       -2.942   2.436  -0.681  0.00  0.00    -0.367 OA
ATOM      4  C   LIG    1       -2.449   2.927   0.564  0.00  0.00    +0.196 C 
ATOM      5  C   LIG    1       -0.597   2.987  -1.205  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        0.025   2.219  -2.354  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1        0.690   0.912  -1.908  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        0.353   0.489  -0.447  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1        1.093  -0.839   0.053  0.00  0.00    -0.023 C 
ATOM     10  C   LIG    1        1.070  -1.962  -1.008  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.439  -1.361   1.399  0.00  0.00    -0.004 C 
ATOM     12  C   LIG    1        0.885  -2.766   1.847  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -1.085  -1.332   1.392  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -1.607   0.085   1.173  0.00  0.00    +0.189 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -2.003  -0.188  -1.374  0.00  0.00    +0.245 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -3.414  -0.294  -1.131  0.00  0.00    -0.464 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -5.566  -0.986  -1.733  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -4.107  -0.985  -2.073  0.00  0.00    +0.304 C 
ATOM     19  O   LIG    1       -3.623  -1.536  -3.051  0.00  0.00    -0.251 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1        2.608  -0.546   0.454  0.00  0.00    +0.043 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.597   0.115  -0.520  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.971   0.245   0.059  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.839  -0.914   0.361  0.00  0.00    +0.266 C 
ATOM     24  O   LIG    1        7.035  -0.337   0.883  0.00  0.00    -0.457 OA
ATOM     25  C   LIG    1        6.915   1.017   0.882  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1        7.754   1.811   1.264  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1        5.602   1.381   0.357  0.00  0.00    +0.096 C 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1        3.711  -0.600  -1.737  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1        3.754  -1.550  -1.541  0.00  0.00    +0.210 HD
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   9  20
BRANCH  14  30
ATOM     30  O   LIG    1       -3.035   0.038   1.387  0.00  0.00    -0.461 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -3.479   0.124   2.669  0.00  0.00    +0.304 C 
ATOM     32  O   LIG    1       -2.772   0.265   3.657  0.00  0.00    -0.251 OA
ATOM     33  C   LIG    1       -4.973   0.034   2.697  0.00  0.00    +0.136 C 
ENDBRANCH  30  31
ENDBRANCH  14  30
TORSDOF 9