L5QLW8 -OEChem-05022323093D 56 60 0 0 0 0 0 0 0999 V2000 4.5260 -0.5291 1.4639 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -4.1648 -1.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 -0.0973 1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 -1.0047 2.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2564 -2.0500 -0.4899 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 -0.1337 -0.0183 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5801 1.3127 1.4221 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -1.6856 0.2401 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1805 2.0503 -0.7599 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 1.2552 -0.9123 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -0.6955 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 -2.3950 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -0.1052 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -1.1789 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -3.0259 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 0.7957 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -2.6795 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 1.1580 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 -2.8995 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 -2.1311 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 -2.0224 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -2.5711 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 -1.8025 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 0.8362 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.5750 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5831 2.2050 1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 2.6521 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 1.1401 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 2.5673 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 2.9579 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5739 2.2020 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 3.3965 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 3.0692 -2.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 1.9987 -2.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -0.0825 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 -0.6868 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 -2.8389 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -3.1634 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8943 0.9240 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.6737 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5553 -1.5112 -1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -0.7820 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0427 0.7752 -1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 -3.3315 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 -1.9545 -2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 -2.7787 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 -1.3735 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7544 -1.6515 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 2.6209 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 0.5642 2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1748 3.2844 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 3.7868 0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 2.4403 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 4.2357 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 3.6338 -3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 1.6960 -2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 15 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 26 1 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 9 18 2 0 0 0 0 9 29 1 0 0 0 0 10 25 1 0 0 0 0 10 34 2 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$