B9VTY3 -OEChem-04012116172D 43 47 0 1 0 0 0 0 0999 V2000 8.2146 -3.7246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1794 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -2.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.2020 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8966 -1.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -0.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2872 -1.1531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2872 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5903 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8477 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 -0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0066 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5419 -1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7498 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7885 0.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 -1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 2.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 2.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 4.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 4.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5948 -2.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 -0.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -2.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$