REMARK  Name = BDB000673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.315  -0.545   1.323  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.311  -0.651   0.393  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -0.507  -0.359  -0.565  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.131  -0.749   2.521  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -8.531   0.547   2.692  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -7.386   0.546   1.722  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -6.094   0.213   2.164  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.025   0.185   1.265  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.261   0.484  -0.071  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1       -4.211   0.474  -1.005  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1       -2.903   0.187  -0.625  0.00  0.00    +0.350 A 
ATOM     12  C   LIG    1       -2.663  -0.167   0.792  0.00  0.00    +0.122 A 
ATOM     13  O   LIG    1       -1.991   0.231  -1.448  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1       -6.533   0.804  -0.535  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -3.675  -0.160   1.678  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -7.598   0.831   0.366  0.00  0.00    +0.007 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        1.083  -0.871   0.759  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        1.755   0.443   1.232  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        1.477   1.730   0.440  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        2.102   1.902  -0.948  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        3.605   2.214  -0.965  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        4.555   1.014  -0.995  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        4.467   0.202  -2.290  0.00  0.00    -0.000 C 
ATOM     24  C   LIG    1        5.451  -0.969  -2.356  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.348  -2.031  -1.254  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.981  -2.724  -1.133  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.142  -2.227   0.055  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        1.806  -1.615  -0.375  0.00  0.00    +0.022 C 
ENDBRANCH   2  17
TORSDOF 2