REMARK  Name = BDB017272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.065  -0.798   2.088  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.196  -1.853   2.709  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        6.448   0.946  -2.248  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        5.258   0.841  -1.341  0.00  0.00    -0.050 A 
ATOM      5  C   LIG    1        4.551  -0.364  -1.235  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        3.416  -0.472  -0.414  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        2.974   0.659   0.309  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        1.838   0.555   1.131  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.141  -0.654   1.228  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.589  -1.775   0.525  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.680   1.866   0.189  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.716  -1.683  -0.294  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.806   1.957  -0.632  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   1  14
ATOM     14  C   LIG    1       -1.052   0.371   2.212  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -1.552   0.872   0.845  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -2.460  -0.087   0.197  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -3.646  -0.319   1.031  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -3.244  -0.898   2.388  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -2.246   0.007   3.108  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -2.700   0.322  -1.196  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -3.997   1.115  -1.472  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -4.134   0.257  -2.755  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -3.310  -0.832  -2.025  0.00  0.00    +0.019 C 
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 3