D0TH8E -OEChem-04152111193D 58 62 0 1 0 0 0 0 0999 V2000 2.0805 3.1181 0.2469 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 0.4744 0.9781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 2.2931 -0.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 -1.8926 0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 4.3467 0.5386 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3034 3.3250 -0.5273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 2.2220 1.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6184 -1.0315 -1.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 -0.1982 0.5551 N 0 3 2 0 0 0 0 0 0 0 0 0 -1.9637 0.5971 0.5137 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9329 1.0029 -0.6077 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9622 -0.1524 -0.7631 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6575 1.4160 0.6610 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7236 0.4614 1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3393 -0.7085 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -0.4880 1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -1.5353 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 -1.7433 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 2.2815 -0.5736 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2021 1.3433 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -0.7290 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 1.9094 -1.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9913 -1.0536 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -2.8907 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 -1.8524 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -2.9493 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -1.4371 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 -1.5172 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 -2.9724 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3509 -0.9832 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 -0.6562 1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 1.9144 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7029 0.1063 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 2.0884 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 1.4549 2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 0.1210 2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1117 0.7580 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 -1.5385 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 -0.3480 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.5884 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 -2.3654 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6342 3.3082 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 1.1628 -2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 2.1818 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 -2.1067 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5958 -0.8243 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -0.7939 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -3.7362 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -3.8509 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 -3.0693 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 -3.3582 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 -3.6249 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3985 -1.0188 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 0.0561 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 -1.5745 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 -0.6741 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3173 0.3868 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 -1.0042 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 8 27 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$