177236 -OEChem-04262417113D 52 54 0 1 0 0 0 0 0999 V2000 -2.2101 0.8590 -1.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 0.2205 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 2.8240 -1.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 2.9339 0.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 -2.0739 1.7426 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 1.5859 -1.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 -0.9402 1.1791 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 0.9203 -0.3503 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 0.2316 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1585 0.7466 -0.5385 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4055 0.6734 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7993 -1.2745 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 1.6276 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -2.0615 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 0.0921 1.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -1.7575 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 2.2696 -0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 0.4723 -2.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 2.0279 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -3.4258 -1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 0.4924 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2172 -3.1219 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7836 1.4603 2.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 -3.9559 -1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 0.0606 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -1.0689 1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 0.7345 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5451 -0.2530 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -2.8835 2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 2.5842 -1.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 0.4408 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 2.0956 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 -1.7158 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3283 -0.6798 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9428 -1.1203 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 -0.3727 -2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 1.3338 -3.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 0.2150 -3.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 2.7825 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -4.0749 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 0.0465 3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 -3.5345 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 1.7712 3.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 -5.0178 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 3.8015 -1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6161 -0.3795 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 -3.6323 3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 -3.4119 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -2.2861 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.1309 -2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 3.1775 -2.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 3.2576 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 45 1 0 0 0 0 4 17 2 0 0 0 0 5 26 1 0 0 0 0 5 29 1 0 0 0 0 6 27 1 0 0 0 0 6 30 1 0 0 0 0 7 25 1 0 0 0 0 7 26 2 0 0 0 0 8 25 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 14 20 1 0 0 0 0 14 33 1 0 0 0 0 15 21 2 0 0 0 0 15 34 1 0 0 0 0 16 22 2 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > 177236 > 1 > 1 9 6 11 4 7 3 12 5 10 2 8 > 42 1 -0.56 10 0.34 11 -0.14 12 -0.14 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.66 18 0.28 19 -0.15 2 -0.36 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.7 26 0.39 27 0.39 28 -0.15 29 0.28 3 -0.65 30 0.28 32 0.15 33 0.15 34 0.15 35 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.5 46 0.15 5 -0.36 6 -0.36 7 -0.62 8 -0.62 9 0.57 > 9 > 9 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 6 acceptor 3 3 4 17 anion 3 7 8 25 cation 6 11 13 15 19 21 23 rings 6 12 14 16 20 22 24 rings 6 7 8 25 26 27 28 rings > 30 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0002B45400000001 > 122.7914 > 45.732 > 10369192 42 16155711014556722806 10764073 3 17390238014215821957 11578080 2 18124284311574796593 12156800 1 17325265943241907270 12160290 23 17775276184176861783 12422481 6 17833834867527951209 12633257 1 18129655301706649824 12788726 201 18057327386553897255 13583140 156 17458907029132602198 14068700 675 17986658467280377007 15064986 96 18051432685536421323 15537594 2 18188213100906691378 15842332 3 18409445921034979962 16728300 4 18116156567577648977 20681651 13 18339629135825675640 20775530 9 17693924598622958255 229495 10 17894912927356018460 23419403 2 14781523866763255933 23598288 3 18262236595479839348 345986 75 18055342794051999227 469060 322 17026008629483641930 497634 4 18270397321178830196 > 572.21 8.34 4.09 2.83 8.34 3.21 -1 -0.83 -3.09 -2.08 1.06 -0.55 -0.36 -5.06 > 1240.209 > 309.4 > 2 5 10 $$$$