REMARK  Name = BDB017257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174  -0.304  -1.706  0.00  0.00    +0.170 C 
ATOM      2  O   LIG    1       -0.405   0.323  -2.741  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.512   1.369   0.957  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.085   0.163   0.398  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.787   0.031  -0.129  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.905   1.137  -0.091  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.611   1.008  -0.616  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.193  -0.210  -1.157  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.059  -1.299  -1.218  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.345   2.344   0.470  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.350  -1.178  -0.700  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.636   2.454   0.989  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.684   0.550   1.478  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.743   1.616   1.498  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.241  -1.167  -1.005  0.00  0.00    +0.043 C 
ATOM     16  C   LIG    1       -2.527  -0.283  -0.918  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       -3.341  -0.454   0.306  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.385  -1.845   0.741  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -1.992  -2.329   1.150  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.850  -1.622   0.413  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -1.470  -2.392  -1.914  0.00  0.00    +0.021 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.696   0.093   0.150  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.662   1.586  -0.008  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.693   2.453   0.673  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.266   2.473   1.146  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  15
TORSDOF 5