REMARK  Name = BDB006067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.874  -0.974  -0.860  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1        3.118  -0.964   0.497  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1        2.437  -1.364   1.127  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        4.216  -0.405   1.090  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        5.170   0.199   0.157  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        6.317   0.792   0.649  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        6.523   0.787   2.104  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        5.536   0.182   2.857  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1        5.663   0.171   3.864  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        7.519   1.294   2.606  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        7.227   1.368  -0.237  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.962   1.336  -1.610  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        5.792   0.730  -2.092  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        4.877   0.151  -1.212  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        4.397  -0.408   2.378  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1        3.704  -0.452  -1.726  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.585  -1.627  -1.365  0.00  0.00    +0.158 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -3.797   0.090  -1.012  0.00  0.00    +0.403 C 
ATOM     19  N   LIG    1       -2.639  -0.654  -1.177  0.00  0.00    -0.266 N 
ATOM     20  C   LIG    1       -1.906  -0.494  -2.438  0.00  0.00    +0.126 C 
ATOM     21  C   LIG    1       -0.507  -1.147  -2.495  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        0.525  -0.625  -1.576  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        0.023   0.026  -0.367  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -0.870  -0.803   0.560  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -2.059  -1.475  -0.120  0.00  0.00    +0.112 C 
ATOM     26  O   LIG    1       -4.278   0.789  -1.895  0.00  0.00    -0.226 OA
BRANCH  18  27
ATOM     27  O   LIG    1       -4.320  -0.040   0.234  0.00  0.00    -0.445 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -5.320   2.186   0.571  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -5.526   0.668   0.619  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -6.728   0.224  -0.221  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.768   0.253   2.079  0.00  0.00    +0.055 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4