REMARK  Name = BDB017220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112   0.775   0.810  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.458   1.641   1.613  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        5.531  -0.270   0.402  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        4.141  -0.004   0.510  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.213  -0.995   0.106  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.830  -0.749   0.204  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.348   0.472   0.690  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        2.258   1.448   1.100  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.683  -2.220  -0.388  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.049  -2.470  -0.489  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.632   1.214   1.008  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.970  -1.501  -0.097  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.772   0.504   0.730  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.372   0.738   0.811  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -1.121   0.005  -0.046  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -0.940   0.228  -1.560  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -1.081   1.702  -1.968  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -1.946  -0.651  -2.336  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.131  -1.136  -1.488  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -3.595  -0.068  -0.607  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -2.572   0.326   0.385  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.881  -0.394   0.016  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.499   0.834   0.618  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.688   0.703   1.537  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.362   1.143   2.089  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5