B72OAL -OEChem-04022116043D 29 31 0 0 0 0 0 0 0999 V2000 3.9046 1.3154 -0.0341 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 -2.4448 -0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 2.9105 0.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.9762 0.4447 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -1.2099 -0.2511 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -0.5470 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -0.3336 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 0.8162 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -1.2313 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 1.0000 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 1.6921 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 -0.3282 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -0.4896 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 -0.9519 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 0.4670 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7692 -0.6618 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 -0.4660 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 0.9529 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 0.4864 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 1.6503 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 -1.9439 0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -1.6936 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0552 0.8298 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 -1.7406 -0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 -0.1633 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3876 -0.3644 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 -0.8294 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2814 1.6889 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 0.8635 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$