B95TYS -OEChem-04022115093D 38 40 0 1 0 0 0 0 0999 V2000 2.2113 -2.2300 0.3832 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0736 -1.5785 0.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 0.0057 -0.7853 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3121 0.1178 0.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 1.7500 -0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 1.4966 -0.7244 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 0.6626 0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 1.9858 0.1965 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3667 2.1263 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.2022 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -0.3696 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8973 -0.6919 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 -1.7081 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 -0.5853 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 2.3883 1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 0.1976 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -2.4807 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 -0.5627 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -1.8900 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 -0.4997 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 0.6047 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3699 1.0588 0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 2.6616 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 1.7232 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1852 3.1925 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 2.0802 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9489 0.6519 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 2.3863 2.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 3.3966 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 1.7020 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 1.2376 -0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 -3.5244 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 -2.5190 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9416 -0.8205 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -1.3150 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0205 1.8886 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 1.4260 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1819 0.5464 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$