B6SOJ3 -OEChem-04012119242D 45 48 0 1 0 0 0 0 0999 V2000 7.1222 -2.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.5379 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4440 -0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7058 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7058 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4114 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7651 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7221 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0757 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2059 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2059 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7059 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 0.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -0.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 1.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 1.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8255 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 2.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2468 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5159 -2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5159 0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3259 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 20 2 0 0 0 0 5 10 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 9 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 21 1 0 0 0 0 15 32 1 0 0 0 0 16 22 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 24 1 0 0 0 0 18 36 1 0 0 0 0 19 25 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$