21 ATOMS, 21 BONDS, 0 CHARGES, NO_NAME 1 Car 2.1537 1.0170 -0.0118 0.0000 0.0000 2 Car -0.5447 1.6750 0.0866 0.0000 0.0000 3 Car 1.7613 2.3376 0.0151 0.0000 0.0000 4 Car 0.4163 2.6663 0.0644 0.0000 0.0000 5 C3 -3.4665 -1.3767 0.1331 0.0000 0.0000 6 Car 1.1916 0.0038 0.0102 0.0000 0.0000 7 Car -0.1681 0.3407 0.0596 0.0000 0.0000 8 O2 0.7648 -2.2896 -0.0009 0.0000 0.0000 9 O2 -2.7331 0.8246 -0.2772 0.0000 0.0000 10 O3 2.9125 -1.7309 -0.0668 0.0000 0.0000 11 C2 1.6043 -1.4115 -0.0193 0.0000 0.0000 12 C2 -2.4107 -0.3146 -0.0360 0.0000 0.0000 13 O3 -1.1116 -0.6345 0.0814 0.0000 0.0000 14 H 3.1831 -2.6591 -0.0862 0.0000 0.0000 15 H 3.2031 0.7654 -0.0543 0.0000 0.0000 16 H -1.5912 1.9392 0.1246 0.0000 0.0000 17 H 2.5056 3.1200 -0.0019 0.0000 0.0000 18 H 0.1177 3.7039 0.0852 0.0000 0.0000 19 H -3.7624 -1.4313 1.1807 0.0000 0.0000 20 H -4.3344 -1.1266 -0.4770 0.0000 0.0000 21 H -3.0662 -2.3403 -0.1821 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