BJ9QN4 -OEChem-04012116072D 40 42 0 1 0 0 0 0 0999 V2000 7.1279 0.5675 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.3722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.2372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.0306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 -0.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 1.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -1.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 1.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2479 -0.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 -2.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$