REMARK  Name = LIG000329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.141   0.500   0.147  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.728  -0.751  -0.274  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.409  -1.694  -0.624  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.261  -0.739  -0.266  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.841   0.538   0.093  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.490   0.837   0.177  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.439  -0.173  -0.104  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.013  -1.463  -0.470  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.377  -1.757  -0.555  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.023   1.418   0.319  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.574  -1.482  -1.240  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.668  -0.781  -0.793  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.117   0.212  -1.560  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.458   0.265  -2.509  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.078   1.053  -1.251  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.599   1.798  -2.106  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.519   0.977   0.170  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.447   0.262   1.149  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.106  -0.986   0.591  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -1.829   0.016  -0.049  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1       -2.426  -0.775  -0.278  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -2.528   1.159   0.284  0.00  0.00    +0.268 C 
ATOM     23  O   LIG    1       -2.061   2.245   0.606  0.00  0.00    -0.268 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.975   0.930   0.213  0.00  0.00    +0.144 A 
ATOM     25  N   LIG    1       -4.526  -0.295  -0.141  0.00  0.00    -0.223 NA
ATOM     26  C   LIG    1       -5.832  -0.124  -0.097  0.00  0.00    +0.150 A 
ATOM     27  N   LIG    1       -6.154   1.179   0.275  0.00  0.00    -0.305 N 
ATOM     28  C   LIG    1       -7.457   1.644   0.402  0.00  0.00    +0.093 A 
ATOM     29  C   LIG    1       -8.474   0.805   0.156  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -8.176  -0.564  -0.234  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -6.909  -1.037  -0.364  0.00  0.00    +0.097 A 
ATOM     32  C   LIG    1       -4.975   1.845   0.472  0.00  0.00    +0.125 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -6.652  -2.462  -0.770  0.00  0.00    +0.421 C 
ATOM     34  F   LIG    1       -7.804  -3.159  -0.975  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -5.958  -3.148   0.174  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1       -5.948  -2.548  -1.928  0.00  0.00    -0.166 F 
ENDBRANCH  31  33
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 4