REMARK  Name = BDB031628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.098  -0.853  -0.728  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1       -2.390  -0.412  -0.860  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -2.660  -0.370  -1.837  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.537  -1.286  -1.734  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.163   0.362   0.105  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.842   1.862  -0.018  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.763   2.293  -0.420  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.817   2.726   0.421  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.599   3.711   0.353  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.103   2.425   0.796  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.901   3.309   1.088  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.454   0.959   0.881  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.655   0.141  -0.121  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.463  -0.805   0.654  0.00  0.00    +0.131 C 
BRANCH  14  17
ATOM     15  C   LIG    1        3.325  -0.821   0.100  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        1.970  -0.462   0.048  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.988  -1.224   0.704  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1        1.380  -2.358   1.423  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.726  -2.718   1.482  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.694  -1.953   0.826  0.00  0.00    +0.023 A 
BRANCH  15  23
ATOM     21  C   LIG    1        6.237   0.919  -1.550  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        5.608  -0.134  -0.672  0.00  0.00    +0.214 C 
ATOM     23  N   LIG    1        4.233  -0.004  -0.604  0.00  0.00    -0.286 N 
ATOM     24  H   LIG    1        3.821   0.764  -1.119  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        6.303  -0.960  -0.092  0.00  0.00    -0.276 OA
ENDBRANCH  15  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4