REMARK  Name = BDB017299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636  -0.462   1.891  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.587  -0.685   3.103  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.647  -0.158   1.190  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.817  -0.728   1.706  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.070  -0.495   1.114  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.179   0.331  -0.031  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        4.471   0.532  -0.611  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        5.614  -0.050  -0.015  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        5.475  -0.857   1.111  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.985   0.915  -0.517  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.215  -1.079   1.665  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.741   0.680   0.085  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.814   0.229  -0.619  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.000  -0.180   0.053  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  C   LIG    1        4.655   1.398  -1.847  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.766   2.828  -1.523  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        4.830   3.965  -1.295  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -1.993  -1.198  -0.211  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -1.981  -0.500   1.163  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -2.588   0.919   1.137  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -3.689   1.150   0.178  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -4.329  -0.122  -0.182  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -3.394  -1.131  -0.856  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.215   1.894  -1.010  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -2.969   3.384  -0.626  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -4.431   3.686  -0.999  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.406   2.414  -1.864  0.00  0.00    +0.019 C 
ENDBRANCH  21  24
BRANCH  18  28
ATOM     28  C   LIG    1       -1.416  -2.635  -0.230  0.00  0.00    +0.004 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.263  -3.957   0.986  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -1.792  -3.589   0.911  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  19
TORSDOF 8