REMARK  Name = BDB027972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.952  -0.653  -0.439  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -0.004  -0.046   0.334  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1       -1.168  -0.108  -0.385  0.00  0.00    -0.266 N 
ATOM      4  N   LIG    1       -1.025  -0.717  -1.579  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        0.269  -1.048  -1.608  0.00  0.00    +0.157 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.470   0.405   0.033  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -3.125   1.301  -1.032  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -4.207   0.546  -1.795  0.00  0.00    +0.083 C 
ATOM      9  N   LIG    1       -5.277   0.057  -0.924  0.00  0.00    -0.316 NA
ATOM     10  H   LIG    1       -6.040   0.731  -0.879  0.00  0.00    +0.122 HD
ATOM     11  C   LIG    1       -4.848  -0.301   0.426  0.00  0.00    +0.083 C 
ATOM     12  C   LIG    1       -3.390  -0.737   0.487  0.00  0.00    +0.042 C 
ENDBRANCH   3   6
BRANCH   1  13
ATOM     13  N   LIG    1        2.265  -0.847  -0.170  0.00  0.00    -0.331 N 
ATOM     14  H   LIG    1        2.738  -1.571  -0.714  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1        6.571   0.936   0.343  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.468   0.505   0.666  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        5.317  -0.790   1.088  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        6.160  -1.349   1.095  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        4.142  -1.478   1.274  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1        4.157  -2.701   1.416  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.836  -0.673   1.173  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1        3.121   0.800   1.475  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        4.215   1.338   0.565  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3