REMARK  Name = LIG000612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.945  -0.325   0.049  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.020   0.529   1.133  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.011   0.995   1.660  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.642   0.826   1.539  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.199   1.581   2.606  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.179   1.700   2.767  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.063   1.069   1.867  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        1.599   0.304   0.781  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        0.222   0.202   0.639  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.571  -0.531  -0.390  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.902   0.594   0.123  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.771   0.167  -0.102  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.012   0.706  -1.107  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.421   1.499  -1.580  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.728   0.388  -1.473  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.132   1.063  -2.313  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.070  -0.788  -0.752  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.068  -1.689  -0.028  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.158  -0.941   0.717  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  N   LIG    1        2.448  -0.311  -0.148  0.00  0.00    -0.330 N 
ATOM     21  C   LIG    1        3.602  -1.049   0.401  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        4.926  -0.374   0.056  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        5.111  -0.234  -1.455  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1        3.786  -0.057  -2.198  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        2.723   0.571  -1.301  0.00  0.00    +0.105 C 
ENDBRANCH   8  20
TORSDOF 2