REMARK  Name = BDB008857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.153  -1.011  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.938   0.331   0.066  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.851   1.377  -0.126  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.980   1.937  -1.407  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.243   1.436  -2.484  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.354   0.381  -2.291  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.229  -2.353  -0.430  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.728  -1.288  -0.784  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.092  -1.086  -0.960  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.012  -2.192  -0.681  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        4.108  -1.796   0.325  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1        4.847  -0.591  -0.107  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        4.250   0.203  -1.193  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        2.713   0.242  -1.076  0.00  0.00    +0.127 C 
BRANCH  12  15
ATOM     15  C   LIG    1        6.176  -0.431   0.265  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        6.667  -0.966   1.468  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        8.000  -0.807   1.865  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        8.886  -0.100   1.062  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        8.433   0.448  -0.132  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        7.096   0.285  -0.519  0.00  0.00    +0.023 A 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.663   1.903   1.034  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.165   1.927   0.763  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.939   0.646   0.754  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.272  -0.668   1.052  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.264  -1.800   1.341  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.415  -1.787   0.342  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.166  -0.455   0.389  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.251   0.736   0.473  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.870   2.062   0.219  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -8.066   2.183  -0.025  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.026   3.137   0.280  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.430   4.052   0.110  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.692   3.094   0.539  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 4