REMARK  Name = BDB065114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.365  -0.330  -0.263  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -2.065  -1.057  -1.458  0.00  0.00    +0.105 C 
ATOM      3  O   LIG    1       -3.358  -0.555  -1.825  0.00  0.00    -0.367 OA
ATOM      4  C   LIG    1       -2.325  -0.393  -2.805  0.00  0.00    +0.196 C 
ATOM      5  C   LIG    1       -1.981  -2.561  -1.447  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.523  -2.994  -1.445  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1        0.276  -2.331  -0.320  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        0.155  -0.777  -0.340  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1        1.212  -0.028   0.606  0.00  0.00    -0.025 C 
ATOM     10  C   LIG    1        1.213  -0.609   2.037  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.940   1.526   0.625  0.00  0.00    -0.004 C 
ATOM     12  C   LIG    1        1.584   2.308   1.789  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -0.547   1.909   0.655  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -1.389   1.219  -0.411  0.00  0.00    +0.189 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -2.057  -0.779   1.067  0.00  0.00    +0.245 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -3.468  -0.511   1.044  0.00  0.00    -0.464 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -5.593  -0.537   2.023  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -4.138  -0.862   2.171  0.00  0.00    +0.304 C 
ATOM     19  O   LIG    1       -3.637  -1.367   3.166  0.00  0.00    -0.251 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1        2.636  -0.336  -0.032  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.872   0.414   0.484  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.180  -0.046  -0.090  0.00  0.00    -0.026 C 
ATOM     23  C   LIG    1        6.447   0.584   0.352  0.00  0.00    +0.264 C 
ATOM     24  O   LIG    1        7.461  -0.090  -0.391  0.00  0.00    -0.457 OA
ATOM     25  C   LIG    1        6.881  -1.022  -1.192  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1        7.461  -1.771  -1.956  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1        5.432  -0.989  -0.998  0.00  0.00    +0.094 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   9  20
BRANCH  14  28
ATOM     28  O   LIG    1       -2.729   1.732  -0.277  0.00  0.00    -0.461 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.096   2.734  -1.117  0.00  0.00    +0.304 C 
ATOM     30  O   LIG    1       -2.372   3.280  -1.938  0.00  0.00    -0.251 OA
ATOM     31  C   LIG    1       -4.533   3.088  -0.887  0.00  0.00    +0.136 C 
ENDBRANCH  28  29
ENDBRANCH  14  28
TORSDOF 8