B3D0NL -OEChem-04012112102D 40 43 0 1 0 0 0 0 0999 V2000 6.1174 -2.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 2.2969 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6561 -1.8932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 1.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7860 0.7554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5180 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 0.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7301 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 0.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 3.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 3.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7538 -0.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 3.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 3.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 -2.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 3.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 3.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -2.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 -3.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 -2.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 1 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$