REMARK  Name = BDB060669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.895   0.612  -0.970  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.659   0.167  -0.633  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1        1.659   0.532  -1.477  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        1.881   1.306  -2.607  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        0.717   1.523  -3.273  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1       -0.256   0.885  -2.567  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1        3.138   1.768  -2.963  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.260   0.260  -1.444  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.169   1.395  -2.098  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        8.293  -0.162   1.245  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.887  -0.137   0.926  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        6.011  -0.717   1.763  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        4.831  -0.509   1.170  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        4.944   0.205  -0.047  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        6.301   0.428  -0.172  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.537  -0.512  -0.500  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -1.887  -0.203  -0.264  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.663  -0.947   0.644  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1       -2.061  -2.015   1.321  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.721  -2.330   1.100  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.036  -1.583   0.196  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.122  -0.615   0.903  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -4.985  -0.770  -0.358  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -6.438  -0.395  -0.071  0.00  0.00    +0.081 C 
ATOM     25  N   LIG    1       -6.541   0.960   0.470  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -7.522   1.177   0.648  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.781   1.104   1.711  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -4.302   0.790   1.499  0.00  0.00    +0.023 C 
ENDBRANCH  18  22
ENDBRANCH   8  16
TORSDOF 3