REMARK  Name = BDB000674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314   0.258  -0.245  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.726  -0.441   0.316  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1       -0.491  -1.232   0.916  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.151   1.227  -0.983  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1        7.657   1.053  -1.065  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        6.493   0.337  -0.445  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1        5.179   0.741  -0.732  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.092   0.057  -0.182  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.331  -1.033   0.644  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1        3.265  -1.747   1.216  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1        1.941  -1.392   0.978  0.00  0.00    +0.350 A 
ATOM     12  C   LIG    1        1.690  -0.230   0.096  0.00  0.00    +0.122 A 
ATOM     13  O   LIG    1        1.023  -2.030   1.490  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1        5.623  -1.462   0.933  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        2.717   0.446  -0.447  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        6.705  -0.777   0.381  0.00  0.00    +0.007 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -2.151  -0.150   0.128  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.521   1.262   0.646  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -4.029   1.520   0.484  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1       -4.814   0.476   1.293  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -4.482  -0.937   0.788  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -4.862  -1.049  -0.697  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -4.078  -0.013  -1.518  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.406   1.398  -1.002  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -2.974  -1.186   0.942  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -2.570  -0.273  -1.358  0.00  0.00    +0.029 C 
ENDBRANCH   2  17
TORSDOF 2