B3IE0F -OEChem-04022117513D 41 43 0 0 0 0 0 0 0999 V2000 -6.2953 -0.1774 -0.2205 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 -4.2590 0.2894 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1234 0.4570 -0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 0.5501 -1.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.5670 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 -0.6518 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 1.6321 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 -0.2999 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 1.1634 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.5049 0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2138 -1.9854 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 -1.2618 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 1.9118 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1781 3.0797 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2197 -2.9632 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 -2.6043 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 1.4022 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7707 0.5100 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5914 1.2129 -1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7568 1.1200 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 0.7289 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 0.6361 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6298 0.4407 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0429 -1.7137 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 -0.3854 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 1.3779 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 -2.2829 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -1.0558 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 2.9971 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2591 3.2381 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 3.5528 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 3.5978 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -3.3820 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 1.4352 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 1.2680 2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 0.5910 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6173 0.4164 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 0.4564 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6871 -1.4991 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9939 -2.2480 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 -2.3551 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$