COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 -0.397 0.683 -0.599 1.00 0.00 C HETATM 2 C LIG 1 0.441 1.502 0.347 1.00 0.00 C HETATM 3 C LIG 1 1.415 0.673 0.917 1.00 0.00 C HETATM 4 C LIG 1 0.397 -0.683 -0.599 1.00 0.00 C HETATM 5 C LIG 1 -0.441 -1.502 0.347 1.00 0.00 C HETATM 6 C LIG 1 -1.415 -0.673 0.917 1.00 0.00 C HETATM 7 C LIG 1 -0.855 1.290 -1.906 1.00 0.00 C HETATM 8 C LIG 1 0.232 2.867 0.627 1.00 0.00 C HETATM 9 N LIG 1 0.075 3.995 0.835 1.00 0.00 N HETATM 10 C LIG 1 0.855 -1.290 -1.906 1.00 0.00 C HETATM 11 C LIG 1 -0.232 -2.867 0.627 1.00 0.00 C HETATM 12 N LIG 1 -0.075 -3.995 0.835 1.00 0.00 N HETATM 13 H LIG 1 2.075 0.960 1.727 1.00 0.00 H HETATM 14 H LIG 1 -2.075 -0.960 1.727 1.00 0.00 H HETATM 15 H LIG 1 -0.004 1.494 -2.559 1.00 0.00 H HETATM 16 H LIG 1 -1.385 2.225 -1.718 1.00 0.00 H HETATM 17 H LIG 1 -1.538 0.609 -2.420 1.00 0.00 H HETATM 18 H LIG 1 0.004 -1.494 -2.559 1.00 0.00 H HETATM 19 H LIG 1 1.385 -2.225 -1.718 1.00 0.00 H HETATM 20 H LIG 1 1.538 -0.609 -2.420 1.00 0.00 H HETATM 21 N LIG 1 -1.470 0.542 0.400 1.00 0.00 N HETATM 22 N LIG 1 1.470 -0.542 0.400 1.00 0.00 N CONECT 1 7 4 2 21 CONECT 1 CONECT 2 1 8 3 CONECT 3 2 22 13 CONECT 4 10 1 5 22 CONECT 4 CONECT 5 4 11 6 CONECT 6 5 21 14 CONECT 7 15 17 16 1 CONECT 7 CONECT 8 2 9 CONECT 9 8 CONECT 10 18 20 19 4 CONECT 10 CONECT 11 5 12 CONECT 12 11 CONECT 13 3 CONECT 14 6 CONECT 15 7 CONECT 16 7 CONECT 17 7 CONECT 18 10 CONECT 19 10 CONECT 20 10 CONECT 21 1 6 CONECT 22 4 3 MASTER 0 0 0 0 0 0 0 0 22 0 22 0 END