REMARK  Name = BDB012951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.538   0.153   0.963  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        2.838   0.928  -0.161  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.437   0.537  -0.069  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.503   1.111  -0.912  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.864   1.887  -1.798  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.270  -0.574   0.853  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.680  -1.104   1.078  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.894   0.784  -0.768  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -1.777   1.082  -1.775  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.556   1.534  -2.657  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.045   0.715  -1.530  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -3.001   0.212  -0.292  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -1.683   0.243   0.228  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.245  -0.290   0.391  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -4.954  -1.403  -0.410  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.158  -0.883  -1.189  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -7.205  -0.252  -0.270  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -6.613   0.383   0.989  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -5.189   0.873   0.760  0.00  0.00    +0.010 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  22
ATOM     20  O   LIG    1        5.655   1.961   1.242  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        5.887   0.838   0.813  0.00  0.00    +0.216 C 
ATOM     22  N   LIG    1        4.930  -0.143   0.696  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1        5.162  -0.974   0.171  0.00  0.00    +0.149 HD
BRANCH  21  24
ATOM     24  C   LIG    1        7.266   0.492   0.369  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        7.519  -0.236  -0.931  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        7.810  -0.917   0.375  0.00  0.00    +0.013 C 
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 4