D0W4JS -OEChem-10191522392D 52 55 0 1 0 0 0 0 0999 V2000 17.2260 -2.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9820 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2260 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2260 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3010 -0.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6434 -2.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3336 -2.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 0.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6183 1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4160 -3.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4160 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 -3.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 52 1 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 23 28 1 0 0 0 0 23 44 1 0 0 0 0 24 29 2 0 0 0 0 24 45 1 0 0 0 0 26 31 1 0 0 0 0 26 46 1 0 0 0 0 27 32 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 31 33 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$