REMARK  Name = LIG000822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.991   0.568   0.196  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.720  -0.321  -0.830  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.502  -0.871  -1.578  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.268  -0.531  -0.838  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.722   0.171   0.230  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.357   0.136   0.470  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.474  -0.592  -0.398  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.124  -1.327  -1.452  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.501  -1.295  -1.690  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.805   0.857   0.992  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.721  -0.869  -0.928  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.707  -0.322  -0.497  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.149  -0.729   0.685  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.585  -1.531   1.116  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.016  -0.261   1.301  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.567  -0.825   2.300  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.320   0.942   0.664  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.192   1.688  -0.343  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.021   0.792  -1.246  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.851  -0.749  -0.194  0.00  0.00    -0.338 N 
ATOM     21  H   LIG    1        2.337  -0.937  -1.071  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.582   0.241   0.598  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.066  -0.071   0.576  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1        4.860   0.716  -0.197  0.00  0.00    -0.250 NA
ATOM     25  C   LIG    1        6.177   0.446  -0.254  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        6.760  -0.626   0.453  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.142  -0.868   0.361  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        8.948  -0.051  -0.428  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.379   1.007  -1.127  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.922  -1.430   1.234  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        7.004   1.244  -1.033  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        4.561  -1.154   1.295  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 4