REMARK  Name = BDB017253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.184  -0.216  -0.317  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.924   0.968  -0.172  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.322   0.942  -0.026  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.993  -0.299  -0.027  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        5.390  -0.326   0.119  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        6.127   0.859   0.272  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1        5.453   2.083   0.261  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        3.250  -1.479  -0.177  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.064   2.124   0.117  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.859  -1.440  -0.322  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -0.788   1.022  -0.597  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -0.305  -0.102  -0.468  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.169  -1.369  -0.467  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -2.576  -1.105  -1.042  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1       -3.612  -0.577  -0.140  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -3.253  -0.633   1.277  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -2.556  -1.946   1.607  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -1.202  -2.040   0.914  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -4.067   0.758  -0.552  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.360   1.119   0.127  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -6.639   0.394  -0.214  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.455   1.825  -0.636  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        7.625   0.804   0.400  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1        8.225   0.579  -0.869  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        7.560   0.775  -1.550  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6