D06IQB -OEChem-04152109242D 19 20 0 0 0 0 0 0 0999 V2000 2.0570 1.5689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5199 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 3.3289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 1.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$