D0M1QJ -OEChem-10191521492D 48 52 0 1 0 0 0 0 0999 V2000 4.6783 -0.8706 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -0.0659 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.9342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8879 1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 -0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7939 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7939 -0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2619 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9892 1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2815 1.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4833 1.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7294 -1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5264 -1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4833 -1.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2815 -1.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 0.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0030 1.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5264 1.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7294 1.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0030 -0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 0.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -1.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 3 40 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 20 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$