B4WDS3 -OEChem-04012116392D 40 42 0 1 0 0 0 0 0999 V2000 3.7320 -1.4759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.3288 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1279 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 2.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 3.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 4.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 1.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 0.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -0.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 -0.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 2.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 1.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 2.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6474 4.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 21 3 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$