REMARK  Name = BDB059897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.952  -1.777  -0.247  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.535  -0.453  -0.181  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1        0.832  -0.495  -0.382  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.650   0.650  -0.398  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.117   1.831  -0.250  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.242   1.890  -0.014  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        1.175  -1.802  -0.588  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.094   0.841   0.039  0.00  0.00    +0.026 A 
ATOM      9  N   LIG    1        0.141  -2.602  -0.478  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.502   1.136   0.374  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.303   1.893  -0.494  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.636   2.158  -0.176  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.180   1.668   1.011  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.392   0.916   1.881  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.058   0.652   1.566  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  19
ATOM     16  C   LIG    1       -4.624  -2.125  -0.911  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1       -3.257  -1.681  -0.879  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1       -2.957  -0.960  -1.521  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.306  -2.324  -0.115  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1       -2.561  -3.299   0.586  0.00  0.00    -0.268 OA
ENDBRANCH   1  19
BRANCH   4  21
ATOM     21  N   LIG    1        3.008   0.534  -0.593  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.365   1.460  -0.836  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.833   0.066   0.523  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.288   0.069   0.210  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        5.881   1.294   0.106  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        7.189   1.077  -0.187  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        7.445  -0.271  -0.277  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        6.215  -0.925  -0.022  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5