9809475 -OEChem-04252413203D 72 76 0 0 0 0 0 0 0999 V2000 5.9174 -4.4872 -0.3907 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.1765 3.5935 -0.5633 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 2.0324 0.9033 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8087 -1.1551 0.5761 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -1.9233 2.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9262 -2.5560 -2.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -1.2687 -0.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 -3.9591 -0.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -2.3050 -1.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -0.4438 0.2044 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 0.8530 0.3528 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9405 -0.3565 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 2.9377 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 3.6479 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 1.8921 0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 4.2563 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 2.5034 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 3.2158 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 2.2923 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 1.6909 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.0711 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -0.2000 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 0.6617 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8413 -1.2365 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 -2.0682 1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 -1.4095 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 0.4078 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -0.1020 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 0.4164 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6539 1.7006 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.6710 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3747 -2.4109 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -3.0694 1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9285 -1.7595 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 -3.2410 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4205 0.0801 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 2.7000 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3678 1.0877 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9793 2.3783 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -2.6595 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -2.6684 2.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -1.8110 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 3.6953 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 2.9378 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 4.4394 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 1.4522 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 1.0721 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 5.0701 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8166 4.6991 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 1.7188 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7771 3.2158 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 2.4783 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3537 3.6988 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 3.0485 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 1.5224 -0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 2.4620 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 0.9117 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 1.7943 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1408 -0.7687 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5921 2.5024 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -3.7117 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -1.9717 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7802 -1.9567 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 3.7061 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4207 0.8441 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.4980 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -3.7361 2.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 -2.3443 3.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 -2.0477 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 -0.7373 -2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4609 -2.0776 -3.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0406 -4.5725 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 39 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 36 1 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 28 2 0 0 0 0 8 40 1 0 0 0 0 8 72 1 0 0 0 0 9 40 2 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 58 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 33 2 0 0 0 0 26 32 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 30 1 0 0 0 0 29 36 2 0 0 0 0 30 31 1 0 0 0 0 30 37 2 0 0 0 0 31 60 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 40 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 M END > 9809475 > 1.2 > 1 37 63 120 98 109 42 101 40 105 89 26 96 27 32 60 119 114 76 104 47 74 87 75 11 106 66 85 77 108 54 45 5 61 46 112 49 82 107 12 99 56 13 94 111 48 95 55 86 78 52 84 18 70 115 97 50 39 16 15 28 33 36 103 38 59 69 31 117 88 92 62 17 64 113 116 23 102 34 90 8 71 25 20 91 67 110 72 68 44 43 58 29 30 73 80 22 51 118 83 65 79 14 24 100 53 41 35 21 7 9 57 19 4 3 81 2 93 10 6 > 41 1 -0.18 10 -0.57 11 -0.49 12 0.05 2 -0.18 20 0.18 21 -0.14 22 0.17 23 0.44 24 0.05 25 0.08 26 -0.15 27 -0.24 28 0.71 29 -0.15 3 -0.08 31 -0.15 32 0.08 33 -0.15 34 0.32 35 0.18 36 0.19 37 -0.15 38 -0.15 39 0.18 4 -0.19 40 0.66 41 0.28 42 0.28 5 -0.36 58 0.37 59 0.15 6 -0.36 60 0.15 61 0.15 64 0.15 65 0.15 7 -0.57 72 0.5 8 -0.65 9 -0.57 > 12.2 > 13 1 11 donor 1 12 cation 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 8 9 40 anion 5 12 27 29 30 31 rings 5 3 10 21 22 23 rings 6 13 14 15 16 17 18 rings 6 24 25 26 32 33 35 rings 6 29 30 36 37 38 39 rings > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0095AE4300000001 > 101.3212 > 66.126 > 10677351 14 18342178856747377487 11093857 5 17531826760335386643 11135926 11 18339067294053399508 11181472 205 18271811177047499945 11408170 132 18337397028247976941 12522641 33 18410295852698877844 12539765 74 18336270158569815540 13540713 5 17844264938494442352 14068700 686 17908694382798474465 14118638 360 18341324604605401047 15064986 266 18411699907752039935 15183329 4 18265052428158680649 15347591 1 18411135848937621751 15439362 3 18408887365355146912 19315958 150 18407761422272414645 20578428 11 18408324380783504896 23559900 14 18272924999626696379 24771293 8 18113897221248396700 335507 130 18264773332319824501 3411729 13 18408601479325756112 4073 2 18187646946501200035 5109719 28 18262810678210512504 5265222 85 17978514466548449496 9831232 110 18129101130693561231 99344 41 18335983159500309828 > 820.37 28.3 5.86 1.62 33.06 0.58 -0.07 -20.92 -6.41 -9.84 -0.99 -2.9 1.47 0.98 > 1749.911 > 465.1 > 2 5 10 $$$$