REMARK  Name = BDB012280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.156  -0.124  -0.011  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.853  -0.604   0.140  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -0.209   0.274  -0.067  0.00  0.00    +0.158 A 
ATOM      4  N   LIG    1       -0.008   1.575  -0.408  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        1.262   2.009  -0.546  0.00  0.00    +0.114 A 
ATOM      6  C   LIG    1        2.369   1.208  -0.360  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.548  -0.217   0.087  0.00  0.00    -0.182 N 
ATOM      8  C   LIG    1       -2.752   0.475  -0.069  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -3.760  -0.428   0.185  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1       -3.106  -1.630   0.484  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.781  -1.524   0.430  0.00  0.00    -0.170 NA
BRANCH   8  12
ATOM     12  O   LIG    1       -2.824   1.763  -0.401  0.00  0.00    -0.492 OA
ATOM     13  H   LIG    1       -3.761   2.014  -0.448  0.00  0.00    +0.294 HD
ENDBRANCH   8  12
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        3.184  -2.235   0.516  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        3.280  -1.062   0.210  0.00  0.00    +0.337 C 
BRANCH  15  16
ATOM     16  O   LIG    1        4.481  -0.482   0.036  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        5.117  -1.208   0.212  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4