REMARK  Name = BDB027961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.431  -0.714  -0.182  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1        1.635  -0.809   0.810  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.117  -0.273  -0.369  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.851  -0.674   0.566  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.207  -0.335   0.423  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -3.204  -0.744   1.479  0.00  0.00    +0.050 C 
ATOM      7  C   LIG    1       -4.655  -0.572   1.012  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -4.867   0.726   0.359  0.00  0.00    -0.312 NA
ATOM      9  H   LIG    1       -4.528   1.463   0.978  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -4.075   0.784  -0.877  0.00  0.00    +0.116 C 
ATOM     11  C   LIG    1       -2.620   0.426  -0.679  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -1.673   0.789  -1.640  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.326   0.433  -1.490  0.00  0.00    +0.023 A 
ENDBRANCH   1   3
BRANCH   1  20
ATOM     14  O   LIG    1        5.450   0.862   1.782  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.539   0.511   1.038  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.632   1.420   0.560  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.849   2.381   0.790  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.881   1.268  -0.581  0.00  0.00    +0.239 C 
ATOM     19  O   LIG    1        2.524   2.250  -1.230  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        2.543  -0.173  -0.980  0.00  0.00    +0.158 C 
ATOM     21  C   LIG    1        3.789  -1.040  -0.785  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.343  -0.928   0.628  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 2