REMARK  Name = BDB047026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670   0.568   0.622  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.570   0.787  -0.464  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -5.473  -0.711  -0.563  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -4.950   0.097  -1.577  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -3.639   0.574  -1.496  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.827   0.256  -0.406  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.341  -0.552   0.606  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.654  -1.032   0.528  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -6.892  -1.234  -0.639  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.996  -0.171  -0.482  0.00  0.00    +0.230 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -9.254   1.363  -1.802  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1       -8.067   0.589  -1.691  0.00  0.00    -0.368 OA
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.796   0.632   0.813  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1       -7.726   1.845   0.935  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.769  -0.149   1.917  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -7.636   0.498   2.642  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.091  -0.749   0.462  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.959  -0.770  -0.797  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.966   0.241  -0.755  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.157  -0.028  -0.143  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.502  -1.206   0.520  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.766  -1.338   1.107  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        5.692  -0.300   1.020  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        5.347   0.890   0.381  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.085   1.017  -0.204  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.901  -0.488   1.650  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        8.036  -0.112   0.967  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1        8.995   0.608   1.679  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       10.183   0.990   1.056  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       10.416   0.638  -0.274  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.467  -0.102  -0.979  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        8.278  -0.486  -0.358  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13