21 ATOMS, 21 BONDS, 0 CHARGES, NO_NAME 1 Car 2.2393 -0.3791 0.2630 0.0000 0.0000 2 Car 0.8424 1.9231 -0.4249 0.0000 0.0000 3 Car 2.8709 0.8456 0.2722 0.0000 0.0000 4 Car 2.1751 1.9935 -0.0703 0.0000 0.0000 5 C3 -3.4838 0.4953 -0.0896 0.0000 0.0000 6 Car 0.8910 -0.4647 -0.0939 0.0000 0.0000 7 Car 0.1908 0.6991 -0.4402 0.0000 0.0000 8 O2 -0.9633 -1.8425 -0.4185 0.0000 0.0000 9 O2 -1.6531 0.8889 1.3406 0.0000 0.0000 10 O3 0.8857 -2.8883 0.2267 0.0000 0.0000 11 C2 0.2090 -1.7720 -0.1069 0.0000 0.0000 12 C2 -2.0185 0.6853 0.2071 0.0000 0.0000 13 O3 -1.1189 0.6285 -0.7886 0.0000 0.0000 14 H 0.3962 -3.7219 0.2035 0.0000 0.0000 15 H 2.7867 -1.2719 0.5268 0.0000 0.0000 16 H 0.3069 2.8224 -0.6911 0.0000 0.0000 17 H 3.9130 0.9108 0.5482 0.0000 0.0000 18 H 2.6781 2.9492 -0.0604 0.0000 0.0000 19 H -3.7360 -0.5623 -0.0120 0.0000 0.0000 20 H -4.0763 1.0637 0.6273 0.0000 0.0000 21 H -3.6988 0.8471 -1.0986 0.0000 0.0000 1 6 7 AROMATIC 2 6 1 AROMATIC 3 6 11 SINGLE 4 7 2 AROMATIC 5 7 13 SINGLE 6 1 3 AROMATIC 7 11 10 SINGLE 8 11 8 DOUBLE 9 2 4 AROMATIC 10 13 12 SINGLE 11 12 5 SINGLE 12 12 9 DOUBLE 13 3 4 AROMATIC 14 1 15 SINGLE 15 2 16 SINGLE 16 3 17 SINGLE 17 10 14 SINGLE 18 4 18 SINGLE 19 5 19 SINGLE 20 5 20 SINGLE 21 5 21 SINGLE