B8M0AW -OEChem-04012116172D 44 46 0 1 0 0 0 0 0999 V2000 4.4487 -0.3209 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6691 0.7724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 3.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 3.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 4.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 3.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9808 1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3639 3.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -3.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -0.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -3.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 0.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 15 2 0 0 0 0 8 17 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$