REMARK  Name = BDB017239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276   1.248  -1.149  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.374   1.015  -2.353  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.016   0.904  -0.491  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.691  -0.244  -0.924  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.907  -0.627  -0.336  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.456   0.165   0.696  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.672  -0.223   1.282  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.345  -1.375   0.864  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.799  -2.152  -0.155  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.778   1.323   1.110  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.589  -1.780  -0.750  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.567   1.694   0.520  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.515  -1.625   1.528  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.244  -2.780   1.133  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.679   2.256  -1.098  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.399   1.880  -0.308  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.790   0.939   0.850  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.434  -0.290   0.353  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.684   0.048  -0.351  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.438   0.992  -1.533  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.732  -1.185   1.484  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.092  -2.603   0.963  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.200  -3.156   2.095  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -1.419  -1.828   2.012  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  26
ATOM     25  C   LIG    1       -3.680   3.890  -2.790  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -2.412   3.236  -2.256  0.00  0.00    +0.001 C 
ENDBRANCH  15  26
ENDBRANCH   1  16
TORSDOF 5