B7UND5 -OEChem-04012112532D 43 45 0 1 0 0 0 0 0999 V2000 5.5202 -0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -1.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.2446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 -1.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5691 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 3.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 4.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0399 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 1.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -0.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 1.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 2.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 1.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -1.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 3.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 2.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -2.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -2.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 5.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -4.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -4.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -1.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -5.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 12 2 0 0 0 0 3 15 1 0 0 0 0 3 41 1 0 0 0 0 4 15 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 6 0 0 0 8 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 21 2 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 23 2 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$