9820434 -OEChem-05112401193D 49 50 0 1 0 0 0 0 0999 V2000 -2.4028 -2.0683 0.6427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 2.6430 1.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 4.0460 0.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 0.6614 -1.1414 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.3635 -0.1080 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 -1.5780 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1262 1.9144 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -2.1841 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 1.6504 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4163 0.9348 -2.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -1.7596 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 -1.6472 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.9663 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -0.4430 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 -2.4686 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -1.1538 1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -2.5721 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 -1.2571 1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 2.9208 1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 0.7679 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -0.5455 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 1.8763 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 0.5628 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 1.7737 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9414 -0.0528 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3868 0.2787 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9296 -1.7262 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9933 -2.1137 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 2.5937 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 2.4423 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 -3.2473 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 -1.6820 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 0.9879 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 1.2026 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 0.0134 -2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8316 1.4898 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3099 1.5241 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -1.6194 1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 -2.5605 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -2.9507 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -0.5987 2.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 -3.1574 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -0.7874 2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 0.8613 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -1.4831 -1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 2.8193 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 0.4832 -3.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1494 2.6367 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 3.4518 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 19 1 0 0 0 0 2 49 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 19 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 M END > 9820434 > 1 > 1 24 89 138 46 92 26 74 132 105 50 124 56 71 120 94 45 61 98 115 22 17 73 103 85 51 25 127 66 114 108 111 125 130 91 128 11 72 129 18 5 96 76 32 113 69 35 93 4 136 84 123 54 112 23 137 70 122 7 67 134 49 68 88 21 75 47 52 80 131 139 82 30 118 29 87 43 40 58 126 110 39 79 60 83 34 78 3 28 116 55 48 104 37 27 53 12 133 62 63 107 106 64 19 121 36 42 41 20 44 38 9 100 13 90 6 15 77 2 135 65 140 95 8 117 31 86 14 33 109 99 102 101 81 59 97 57 119 10 16 > 33 1 -0.36 10 0.27 11 -0.14 12 0.29 13 0.08 14 -0.14 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.66 2 -0.65 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 3 -0.57 4 -0.81 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.5 5 0.27 7 0.27 8 0.28 9 0.06 > 10 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 3 2 3 19 anion 6 11 13 15 16 17 18 rings 6 14 20 21 22 23 24 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0095D91200000001 > 57.8437 > 35.577 > 10498660 4 18411417336598319522 10670039 82 18337121128712919868 10708813 3 18186527596208688676 12788726 201 18343025479777890912 14117953 113 17327727406078582349 14123250 116 18337963268077216160 14251757 17 18340202007048464984 14251764 38 18338522937129070206 14363568 33 17977391860717168137 14787075 74 18333726940655659995 14790565 3 18053664669052153721 14840074 17 18337691732288104289 14931854 50 18408882966364598884 14932702 115 18200301135473348321 15163728 17 18336560351533669022 15419009 47 17195744259969531054 15848702 105 18334009506047395586 17492 54 18335413574090954193 1813 80 13830129507475330562 20101258 96 17686630451348172995 21049683 271 17756715487751330659 21095088 737 18410300224226518400 22907989 373 18202013100688538026 23352939 185 18201440345900156907 235170 7 17632583768426692726 23558518 356 18050007692908419067 23559900 14 18266730290818349082 2838139 119 18187639258599501694 469060 322 17169577270296923531 5895379 119 18196931072541665442 > 471.32 10.47 3.94 1.81 3.59 2.13 -0.34 3.42 -6.12 -1.94 1.18 0.14 0.61 -0.83 > 975.139 > 269.4 > 2 5 10 $$$$