REMARK  Name = BDB027946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.170  -0.799   0.219  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1        0.282  -1.646   0.785  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.289   0.124   0.465  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.394  -0.622   1.237  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        2.167  -1.615   1.930  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.666  -0.113   1.132  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.384  -0.616   1.636  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.116   0.796   0.210  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.313   1.040   0.095  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.063   1.506  -0.606  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.867   0.604  -0.864  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1       -1.915  -2.792   0.465  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -2.204  -1.322   0.286  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -1.162  -0.368   0.204  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -1.520   0.969  -0.029  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -2.862   1.369  -0.105  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -3.877   0.425   0.028  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -3.548  -0.914   0.218  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.184   2.748  -0.324  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1       -3.435   3.867  -0.500  0.00  0.00    -0.191 NA
ENDBRANCH  16  19
ENDBRANCH   1  14
TORSDOF 3