B4HY9T -OEChem-04042104353D 41 43 0 0 0 0 0 0 0999 V2000 -4.6022 0.0735 0.8911 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 0.4147 -0.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 1.1216 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 0.7621 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -2.1111 -0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0348 -0.8804 0.1795 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3642 -2.2577 0.5417 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 -1.1089 0.3104 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8424 -1.1226 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0632 1.1097 0.9435 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 -0.2294 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.8509 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 -0.0275 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 2.1260 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -1.6001 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 1.2512 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 0.6690 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 2.3278 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.1403 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 0.2307 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -0.1629 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -1.2440 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 -1.1286 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 1.2427 -0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3457 0.0144 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1760 -1.1339 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3899 1.0299 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0077 -0.0768 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 2.9686 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 -1.9861 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -1.6124 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -2.2877 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 1.4505 -0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8931 3.3236 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 -1.1202 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3865 0.6227 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -2.2262 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 2.2723 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5705 -2.0468 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9621 1.9097 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0745 -0.1132 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 4 17 2 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 2 0 0 0 0 10 25 2 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 35 1 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 38 1 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$