59212788 -OEChem-04232423053D 46 48 0 0 0 0 0 0 0999 V2000 4.7023 -3.2524 -0.7874 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 0.0218 0.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 -2.5638 0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 1.7871 0.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 2.7616 -0.5417 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 1.1717 -0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -1.1298 0.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4862 0.4595 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 1.4245 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 -0.8427 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 0.7480 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1369 -0.1072 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -1.8359 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 -0.2636 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -1.5569 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 -0.4225 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1503 3.1998 -1.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 3.6974 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 0.5302 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9517 -1.7003 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8445 0.2051 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.0255 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 -1.0729 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 1.3742 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 -3.2950 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1577 2.6874 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 1.7677 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 -2.8545 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 4.2259 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 2.5579 -2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 3.1668 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 4.6631 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 3.8814 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 3.3092 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -2.4639 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 0.8891 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -1.3277 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 1.4185 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1937 1.6885 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 2.0522 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3965 -4.0553 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -3.7946 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2162 -2.6325 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 2.3420 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 2.8983 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 3.6361 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 19 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 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 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > 59212788 > 0.8 > 5 3 7 4 8 1 2 6 > 29 1 -0.19 10 0.31 11 -0.15 12 0.62 13 -0.15 14 0.08 15 0.08 17 0.37 18 0.37 19 0.08 2 -0.36 20 -0.15 21 -0.15 22 0.19 23 -0.15 24 0.28 25 0.28 26 0.28 27 0.15 28 0.15 3 -0.36 35 0.15 36 0.15 37 0.15 4 -0.36 5 -0.84 6 -0.62 7 -0.62 9 0.41 > 5 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 5 6 9 cation 3 6 7 12 cation 6 16 19 20 21 22 23 rings 6 6 7 8 9 10 12 rings 6 8 10 11 13 14 15 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 038783F400000005 > 130.7886 > 40.773 > 11405975 8 18343024376045246483 12403259 226 18411417285359333776 12623949 98 17987533626870346710 12788726 201 18115022974909748729 13140716 1 18410576184412259147 14223421 5 18411133632871387184 14790565 3 18122064200715441513 14866123 147 17908431255373386977 15131766 46 15624219166557978792 15196674 1 18410574032528122739 15361156 5 18334590035576369806 15927050 60 16465307353725551844 15961568 22 17968939824830882988 17844677 252 18343028825657686755 1813 80 17240764012059639853 19141452 34 18412548704362676151 20510252 161 18338514123429268160 20600515 1 17313385698607202428 21065198 57 18413672404660635938 21267235 1 18335431174898809267 21279426 13 18266173933807986525 221357 26 18341333271828045382 221490 88 18413108330216943746 23402539 116 18410007745559406599 23557571 272 18259700095052881828 23559900 14 18412260614909236106 335352 9 18408324372420385029 34934 24 18334571318304079131 350125 39 18410857659995864892 4073 2 18261678163716235674 4214541 1 18411983559248521491 5104073 3 18411420639307111539 59755656 215 18264770952306672951 621550 34 18269548507061172704 7399639 24 18269824458815565736 81228 2 18187093827390620480 9709674 26 18340768135541241086 > 495.24 11.61 4.06 0.92 1.37 1.16 -0.22 -5.95 0.77 -1.06 -0.58 0.08 0.52 1.64 > 1079.046 > 274.6 > 2 5 10 $$$$