COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 1.279 -0.073 0.274 1.00 0.00 C HETATM 2 O LIG 1 0.543 -0.588 1.218 1.00 0.00 O HETATM 3 H LIG 1 -0.538 -0.355 -0.869 1.00 0.00 H HETATM 4 O HOH 2 -1.166 -1.485 -0.166 1.00 0.00 O HETATM 5 H HOH 0 -1.151 -2.359 -0.555 1.00 0.00 H HETATM 6 H LIG 1 -0.237 -1.220 0.699 1.00 0.00 H HETATM 7 C LIG 1 2.005 1.186 0.640 1.00 0.00 C HETATM 8 H LIG 1 2.770 0.923 1.375 1.00 0.00 H HETATM 9 H LIG 1 2.489 1.632 -0.229 1.00 0.00 H HETATM 10 H LIG 1 1.308 1.895 1.083 1.00 0.00 H HETATM 11 C LIG 1 2.001 -1.027 -0.647 1.00 0.00 C HETATM 12 H LIG 1 1.342 -1.836 -0.966 1.00 0.00 H HETATM 13 H LIG 1 2.409 -0.516 -1.518 1.00 0.00 H HETATM 14 H LIG 1 2.825 -1.465 -0.076 1.00 0.00 H HETATM 15 O LIG 1 0.068 0.496 -0.938 1.00 0.00 O HETATM 16 N LIG 1 -0.689 1.609 -0.462 1.00 0.00 N HETATM 17 H LIG 1 -0.917 2.117 -1.311 1.00 0.00 H HETATM 18 H LIG 1 -1.567 1.228 -0.094 1.00 0.00 H HETATM 19 H HOH 0 -2.587 -0.606 0.249 1.00 0.00 H HETATM 20 O HOH 3 -3.193 0.145 0.430 1.00 0.00 O HETATM 21 H HOH 0 -3.714 0.227 -0.370 1.00 0.00 H CONECT 1 11 7 2 CONECT 2 1 6 CONECT 3 15 CONECT 4 5 CONECT 5 4 CONECT 6 2 CONECT 7 9 1 10 8 CONECT 7 CONECT 8 7 CONECT 9 7 CONECT 10 7 CONECT 11 13 12 14 1 CONECT 11 CONECT 12 11 CONECT 13 11 CONECT 14 11 CONECT 15 3 16 CONECT 16 17 15 18 CONECT 17 16 CONECT 18 16 CONECT 19 20 CONECT 20 21 19 CONECT 21 20 MASTER 0 0 0 0 0 0 0 0 21 0 21 0 END