REMARK  Name = BDB017238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057  -0.740   0.144  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.118  -1.723   0.883  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.289  -0.278  -0.323  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.424  -0.863   0.261  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.720  -0.480  -0.122  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.883   0.508  -1.115  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        5.180   0.890  -1.496  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        6.310   0.309  -0.911  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        6.144  -0.667   0.069  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.746   1.086  -1.700  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.859  -1.058   0.460  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.460   0.696  -1.310  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        7.503   0.781  -1.383  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.684   0.218  -0.825  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -1.464   1.378   0.454  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.315   0.021  -0.277  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -2.566  -0.862  -0.083  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.773  -0.171  -0.567  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.980   1.113   0.118  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.766   2.031  -0.042  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.039  -0.937  -0.550  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.932  -2.273  -1.307  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.870  -3.015   0.042  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.305  -1.717   0.749  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  26
ATOM     25  C   LIG    1       -1.457   2.579   2.726  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -1.403   1.244   1.994  0.00  0.00    +0.001 C 
ENDBRANCH  15  26
ENDBRANCH   1  16
TORSDOF 5