REMARK  Name = BDB060017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044   4.538  -0.676  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.104   3.244  -0.036  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1        0.036   2.984   1.280  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1        0.003   1.740   1.627  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.088   0.937   0.349  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1        0.062   2.062  -0.717  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -0.004   1.938  -1.933  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.199   0.010   0.274  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.276  -0.950   1.504  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -2.537  -1.832   1.457  0.00  0.00    -0.010 C 
ATOM     11  C   LIG    1       -3.785  -0.938   1.455  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -3.765  -0.019   0.226  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -3.736  -0.870  -1.052  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -2.489  -1.763  -1.054  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1       -2.515  -2.679   0.177  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -2.509   0.865   0.274  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -1.227  -0.881  -1.005  0.00  0.00    +0.013 C 
ENDBRANCH   5   8
BRANCH   5  18
ATOM     18  C   LIG    1        1.426   0.170   0.313  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        2.045  -0.194  -0.897  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        3.263  -0.898  -0.928  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.888  -1.255   0.285  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.104  -1.959   0.254  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.695  -2.305  -0.961  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.080  -1.954  -2.159  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.278  -0.902   1.495  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.872  -1.255  -2.143  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.067  -0.202   1.507  0.00  0.00    +0.007 A 
ENDBRANCH   5  18
BRANCH   3  28
ATOM     28  N   LIG    1       -0.000   3.973   2.204  0.00  0.00    -0.331 N 
ATOM     29  H   LIG    1        0.556   4.792   2.000  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        0.165   3.616   3.140  0.00  0.00    +0.145 HD
ENDBRANCH   3  28
TORSDOF 3