REMARK  Name = BDB009060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.157  -1.710   0.456  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.175  -1.028   1.181  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.888  -1.719   1.789  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.928  -3.117   1.696  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.054  -3.806   0.988  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.090  -3.105   0.371  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.437   0.275  -0.381  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        2.242  -1.080  -0.187  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.901  -1.693  -0.643  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.628   1.158  -0.121  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        6.110   2.515  -3.125  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        5.264   1.671  -2.259  0.00  0.00    +0.103 A 
ATOM     13  O   LIG    1        5.860   0.585  -1.700  0.00  0.00    -0.464 OA
ATOM     14  C   LIG    1        4.928  -0.043  -0.929  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        5.428  -1.209  -0.169  0.00  0.00    +0.087 C 
ATOM     16  C   LIG    1        3.705   0.608  -1.025  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1        3.948   1.738  -1.864  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.946  -1.000   2.599  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.363   0.360   2.048  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.299   0.430   0.881  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.821  -0.823   0.233  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.526  -0.570  -1.104  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.424   0.657  -1.033  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.617   1.904  -0.662  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.648   1.658   0.461  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.083   2.861   1.123  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -3.365   3.995   0.751  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.240   2.625   2.175  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.830   3.432   2.632  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.878   1.404   2.652  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4