22025190 -OEChem-04262413133D 49 52 0 0 0 0 0 0 0999 V2000 -1.9031 -2.0352 -0.9091 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 -0.6302 0.9267 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1326 2.5300 1.2614 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3112 0.9725 2.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 0.1106 0.3128 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 -3.4597 0.4118 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 0.2216 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 1.5448 -1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 1.3147 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 -0.7383 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 2.2228 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 1.9312 -2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 -1.0976 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.3321 -2.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 0.9816 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 1.5491 1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -2.5062 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 -1.7324 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 -2.2499 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 -1.4476 1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -3.7560 -0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 0.1555 1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 0.9936 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -4.1830 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 0.4998 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3868 2.2661 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 1.2786 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2153 3.0448 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4537 2.5509 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 3.2655 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 2.9517 -2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 -1.9604 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -1.0715 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.1847 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 -1.0430 -2.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5844 1.2735 -3.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 -0.7591 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -2.1240 2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 -0.8264 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 -4.3801 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 0.7993 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5107 -0.4944 2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -5.1499 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 2.6757 1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3647 -0.4909 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 2.6609 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 0.8939 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 4.0354 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 3.1571 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 44 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 19 2 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 22025190 > 1 > 1 62 30 17 38 73 22 114 46 18 34 126 75 88 80 43 103 100 12 81 33 92 65 51 16 99 54 58 98 24 7 41 21 132 121 101 57 97 70 76 118 4 113 84 40 56 104 3 119 42 102 95 15 52 39 128 66 27 25 19 10 68 31 78 89 9 133 47 134 37 82 63 49 45 53 96 116 32 106 131 123 8 50 64 74 61 28 48 79 112 26 14 90 60 55 107 111 67 69 105 115 83 120 87 23 125 110 44 86 127 72 129 93 20 77 29 13 5 85 71 91 122 11 35 59 2 124 130 117 6 108 109 94 36 > 41 1 -0.17 10 0.08 11 -0.15 12 -0.15 13 0.26 14 -0.15 15 -0.15 16 0.81 17 0.08 18 -0.15 19 0.17 2 -0.56 20 0.42 21 -0.15 22 0.42 23 -0.14 24 0.16 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.65 30 0.15 31 0.15 35 0.15 36 0.15 37 0.15 4 -0.57 40 0.15 43 0.15 44 0.5 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.05 6 -0.62 7 -0.15 9 -0.24 > 7 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 acceptor 3 3 4 16 anion 5 5 7 8 9 11 rings 6 23 25 26 27 28 29 rings 6 6 17 18 19 21 24 rings 6 7 8 10 12 14 15 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 015013E600000001 > 83.7236 > 55.976 > 10319688 77 9367350331850379322 10369192 42 18411143562661409838 10670039 82 18190447441741173686 10985338 15 18199769001931439719 11059048 146 18340476868313278552 12390115 104 18343301500125257378 12422481 6 17821728325441307468 13583140 156 17026251346675876458 13828863 39 18410294713725279969 14114211 80 18342177790952136650 14251764 75 18412265038778486984 1454969 45 18337382859778374127 14765038 42 18261960768781275372 14840074 17 17894908572601935444 14848178 5 11023828396860059576 14950920 106 15865170422488236728 15119646 57 17915457409943776424 15163728 17 18341612638002642342 151778 21 18338504254016168130 15183329 4 15267347301628534168 15297060 5 18343022212115036768 15338160 23 18262806292768951795 15513586 35 17535464048221941184 15575132 122 17969202568842558526 16067690 210 17560521806508161072 16120349 67 18202013135443908936 18393751 57 18113057134335493219 18785283 64 18194957453143651338 19032999 76 11386363742588114386 19315092 285 12829498055949747726 21120745 212 17978223095397376695 21365058 113 17409381576295764670 21458453 9 17968666037407314801 21756936 100 18131343141991194738 38570 142 17917998243522659434 392239 28 16443349814001309010 469060 322 16878498059222413494 4756261 7 17609235772228585329 50677037 204 17754165703159546700 5081480 168 17770496444212871670 5252454 2 18337940273291506706 57527293 21 18113891616352998779 57527585 103 15869966792576458784 57724786 102 18056479444076614075 6034566 193 18410002252237927157 613672 6 8934723352780599520 6523845 18 14117519848986715299 > 563.37 14.79 4.52 2.23 15.88 3.96 0.48 -17.13 -6.23 1.31 0.68 -2.59 -0.79 -1.71 > 1239.502 > 304 > 2 5 10 $$$$