REMARK  Name = BDB008845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290  -1.294   1.067  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.333  -0.475   1.511  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.521  -1.030   2.019  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.635  -2.423   2.114  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.597  -3.245   1.685  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.431  -2.683   1.163  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.245   0.498   0.222  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        0.923  -0.808   0.538  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.608  -1.506   0.285  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.481   1.454   0.254  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        4.003  -0.977   1.211  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        3.782  -0.007   0.103  0.00  0.00    +0.054 A 
ATOM     13  N   LIG    1        4.792   0.504  -0.718  0.00  0.00    -0.236 N 
ATOM     14  N   LIG    1        4.350   1.594  -1.401  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        3.049   1.661  -1.144  0.00  0.00    +0.148 A 
ATOM     16  C   LIG    1        2.614   0.664  -0.255  0.00  0.00    +0.078 A 
BRANCH  13  17
ATOM     17  C   LIG    1        6.138   0.065  -0.925  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1        7.045   0.936  -1.554  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        8.368   0.547  -1.781  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        8.797  -0.719  -1.396  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        7.901  -1.600  -0.795  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.575  -1.215  -0.564  0.00  0.00    +0.028 A 
ENDBRANCH  13  17
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -3.646  -0.149   2.517  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.977   1.033   1.610  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.589   0.791   0.266  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.935  -0.599  -0.190  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.865  -0.621  -1.408  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.416   0.389  -2.457  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.399   1.806  -1.882  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.820   1.875  -0.496  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -4.499   3.230   0.019  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -4.711   4.240  -0.644  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -3.971   3.281   1.280  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -3.728   4.195   1.645  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.699   2.214   2.078  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5