REMARK  Name = BDB017298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444  -1.413   0.548  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.536  -1.999   1.627  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.893  -0.862   0.175  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.762  -0.483   1.204  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.030   0.055   0.926  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.467   0.209  -0.412  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        4.768   0.756  -0.650  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        5.573   1.169   0.436  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        5.116   1.001   1.742  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.570  -0.191  -1.432  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.861   0.445   1.981  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.305  -0.721  -1.147  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.787   1.717   0.111  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.561   2.280   1.164  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  C   LIG    1        5.298   0.942  -2.063  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.813   2.181  -2.688  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        4.419   3.140  -3.211  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -2.877  -2.044   0.086  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -1.624  -1.266  -0.424  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.936   0.226  -0.704  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -2.975   0.723   0.195  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -4.268   0.066  -0.051  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -4.131  -1.391  -0.515  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.171   2.175   0.293  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -1.950   2.872   0.937  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -2.194   4.022  -0.069  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -2.875   2.981  -0.990  0.00  0.00    +0.019 C 
ENDBRANCH  21  24
BRANCH  18  28
ATOM     28  C   LIG    1       -2.775  -3.544  -0.275  0.00  0.00    +0.004 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.845  -4.358   1.015  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.352  -4.496   0.779  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  19
TORSDOF 8