REMARK  Name = BDB051241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776  -1.330   0.564  0.00  0.00    +0.006 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.201  -0.850   1.643  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.466  -0.152   1.134  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        2.330  -1.034   0.231  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        3.638  -0.330  -0.141  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.505  -1.209  -1.041  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        5.757  -0.512  -1.586  0.00  0.00    +0.001 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.770  -0.090  -0.517  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.643   1.382  -0.121  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.652   1.762   0.928  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        8.459   1.036   1.483  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.586   3.073   1.236  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        8.276   3.191   1.922  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.379  -0.234  -0.328  0.00  0.00    +0.060 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.642   0.515   0.625  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -2.323   0.682   0.399  0.00  0.00    +0.100 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.742   1.945   0.862  0.00  0.00    +0.052 N 
ATOM     18  O   LIG    1       -2.172   2.424   1.921  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -0.857   2.454   0.165  0.00  0.00    -0.126 OA
ENDBRANCH  16  17
BRANCH  15  20
ATOM     20  C   LIG    1       -4.459  -0.685   0.232  0.00  0.00    +0.029 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.394  -0.418  -0.952  0.00  0.00    +0.004 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.447   0.677  -0.737  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -8.200  -0.810   0.371  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -7.385   0.471   0.455  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 17