BEAX37 -OEChem-04012114472D 43 46 0 1 0 0 0 0 0999 V2000 4.5274 2.5829 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -1.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.0441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 2.2274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 0.2593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7328 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 -0.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 1.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 1.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 2.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9051 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 0.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -1.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -2.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -3.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -1.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 -1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5066 -0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 11 17 1 0 0 0 0 12 19 2 0 0 0 0 13 18 1 0 0 0 0 14 21 2 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 25 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$