REMARK  Name = BDB028211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144  -0.481   0.181  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -1.249   0.249   0.650  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.278   0.631  -0.222  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.213   0.264  -1.563  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.312   0.639  -2.466  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.352   1.333  -1.897  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.120   1.598  -2.505  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.439   1.726  -0.598  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.294   0.341  -3.655  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.122  -0.465  -2.045  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.464   1.414   0.208  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.094  -0.834  -1.174  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        4.923  -0.137  -1.521  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        4.170  -0.553  -0.282  0.00  0.00    +0.059 A 
ATOM     15  N   LIG    1        2.874  -0.476  -0.308  0.00  0.00    -0.170 NA
ATOM     16  N   LIG    1        2.272  -0.872   0.857  0.00  0.00    -0.212 N 
ATOM     17  C   LIG    1        2.908  -1.313   2.008  0.00  0.00    +0.155 A 
ATOM     18  N   LIG    1        2.052  -1.594   2.965  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1        0.822  -1.329   2.423  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1        4.317  -1.386   1.986  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        0.911  -0.884   1.114  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        4.978  -1.022   0.881  0.00  0.00    +0.028 A 
ENDBRANCH   1  21
BRANCH  11  23
ATOM     23  C   LIG    1       -3.581   1.886   1.655  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.002   0.763   2.495  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.902   0.425   2.147  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.191   1.110   3.436  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3