REMARK  Name = BDB017234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.559   0.520  -1.506  0.00  0.00    +0.082 C 
ATOM      2  C   LIG    1       -1.919  -0.714  -0.632  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -2.186  -0.289   0.820  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -3.310   0.757   0.901  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -3.389   1.638  -0.265  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -2.105   1.841  -0.938  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.034  -1.933  -0.834  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -0.242  -2.481   0.186  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        0.570  -3.592  -0.057  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.596  -4.179  -1.319  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.193  -3.659  -2.340  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.002  -2.547  -2.099  0.00  0.00    +0.004 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1       -4.105   2.911  -0.114  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1       -3.489   3.862   0.937  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -4.943   4.229   1.322  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -5.363   2.840   0.781  0.00  0.00    +0.019 C 
ENDBRANCH   5  13
BRANCH   1  17
ATOM     17  C   LIG    1       -0.107   0.740  -1.943  0.00  0.00    +0.168 C 
ATOM     18  O   LIG    1        0.148   1.212  -3.053  0.00  0.00    -0.292 OA
BRANCH  17  24
ATOM     19  C   LIG    1        5.407  -1.402   0.769  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.406  -0.577   1.284  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.288  -0.226   0.504  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        3.183  -0.715  -0.818  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        2.067  -0.368  -1.595  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.046   0.430  -1.064  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        1.161   0.935   0.229  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.194  -1.541  -1.325  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        2.273   0.604   1.008  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.293  -1.881  -0.535  0.00  0.00    +0.046 A 
BRANCH  19  30
ATOM     29  C   LIG    1        6.717  -1.329   2.754  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.533  -1.812   1.430  0.00  0.00    -0.495 OA
ENDBRANCH  19  30
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 5