REMARK  Name = BDB055027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.987  -1.410  -2.909  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        1.067  -1.731  -1.989  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.159  -0.832  -1.204  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -0.469  -1.815  -0.204  0.00  0.00    +0.188 C 
ATOM      5  C   LIG    1       -2.012  -1.794  -0.083  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -2.566  -0.749   0.916  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1       -2.911   0.621   0.269  0.00  0.00    +0.173 C 
ATOM      8  O   LIG    1       -1.996   0.914  -0.782  0.00  0.00    -0.340 OA
ATOM      9  C   LIG    1       -1.131   1.982  -0.384  0.00  0.00    +0.099 C 
ATOM     10  C   LIG    1        0.101   1.346   0.296  0.00  0.00    +0.082 C 
ATOM     11  C   LIG    1       -0.737   2.764  -1.637  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -1.962   2.809   0.617  0.00  0.00    +0.151 C 
ATOM     13  C   LIG    1       -2.840   1.768   1.288  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.775  -1.323   1.669  0.00  0.00    +0.013 C 
ATOM     15  O   LIG    1       -0.136  -3.146  -0.660  0.00  0.00    -0.457 OA
ATOM     16  C   LIG    1        0.923   0.358  -0.560  0.00  0.00    +0.190 C 
ATOM     17  C   LIG    1        0.817  -3.134  -1.619  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1        1.355  -4.115  -2.096  0.00  0.00    -0.245 OA
ENDROOT
BRANCH  12  19
ATOM     19  O   LIG    1       -2.817   3.767  -0.002  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.268   4.483  -0.362  0.00  0.00    +0.210 HD
ENDBRANCH  12  19
BRANCH   7  21
ATOM     21  O   LIG    1       -4.198   0.592  -0.317  0.00  0.00    -0.364 OA
ATOM     22  H   LIG    1       -4.131  -0.028  -1.061  0.00  0.00    +0.213 HD
ENDBRANCH   7  21
BRANCH  16  23
ATOM     23  O   LIG    1        1.951  -0.197   0.304  0.00  0.00    -0.460 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.115   0.503   0.403  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1        3.323   1.588  -0.123  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.123  -0.229   1.264  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1        3.627  -0.324   2.703  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        4.440  -1.602   0.681  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  16  23
TORSDOF 5