B8IT5F -OEChem-04012120032D 54 57 0 1 0 0 0 0 0999 V2000 10.7404 -3.0455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0999 0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0357 3.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 -0.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7404 -1.4361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -3.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3241 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 0.6712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7539 1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2919 0.9786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3431 2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8842 -3.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3030 -0.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -3.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -3.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 -2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 -1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7277 0.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4437 -0.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2939 1.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2924 1.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1938 0.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 0.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 22 1 0 0 0 0 5 47 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 16 10 1 6 0 0 0 10 24 1 0 0 0 0 10 42 1 0 0 0 0 11 19 1 0 0 0 0 20 11 1 1 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 6 0 0 0 13 17 1 0 0 0 0 13 19 1 6 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$