66653346 -OEChem-03292405093D 28 28 0 1 0 0 0 0 0999 V2000 1.8048 0.9300 0.4691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -1.8358 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -2.0697 -0.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 -1.3271 1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 -0.5551 0.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 0.0629 -0.4645 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4853 1.1926 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 0.1499 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 0.4196 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5928 0.8282 -1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 2.5051 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 1.7321 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2927 2.7748 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9486 -1.1567 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 -0.6675 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 -2.9834 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.2769 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -0.8654 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 1.1492 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 1.7343 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 0.2199 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 3.3213 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 1.9594 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 3.7967 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.8612 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 -3.8288 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 -2.8042 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 -3.2212 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 66653346 > 0.6 > 1 31 90 59 95 100 111 108 10 115 119 51 118 36 96 91 63 82 64 60 92 34 19 47 110 72 13 73 54 84 39 107 104 8 66 70 85 21 40 77 67 109 69 83 37 52 116 103 18 15 48 87 68 117 62 45 25 112 14 86 81 114 33 50 24 16 5 101 57 46 38 58 27 44 56 4 121 42 61 120 17 102 7 71 74 93 6 12 79 78 41 105 55 9 11 43 28 94 113 65 3 26 53 30 88 49 76 22 98 35 23 2 32 75 29 89 80 20 106 97 99 > 20 1 -0.36 11 -0.15 12 -0.15 13 -0.15 14 0.66 15 0.63 16 0.28 18 0.15 2 -0.43 22 0.15 23 0.15 24 0.15 25 0.5 3 -0.65 4 -0.57 5 -0.57 6 0.34 7 0.08 8 -0.15 9 0.09 > 5 > 6 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 3 4 14 anion 6 7 8 9 11 12 13 rings > 16 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 03F90CA200000001 > 46.5173 > 30.513 > 10616163 171 18412269415165785686 12553582 1 18339079405697526583 15375462 189 18263370333517127667 15669948 3 18337392643143759404 16752209 62 18265319617588926305 16945 1 18268708316362438361 20281475 54 18412830217566636145 20291156 8 18338801216360169927 20645477 70 17617083051447129751 20711985 365 18337108947600371933 20871998 22 18267864059173147977 21501502 16 18335708187240994868 21634736 98 18260836968933435910 21665056 4 18050567348484345293 2255824 54 17832707155298078293 23184049 29 18338224990789352960 23557571 272 18272079466726922904 23559900 14 18126559013023749570 23598291 2 17823995428545124316 23598294 1 18339088081436499777 2748010 2 18338782503288225793 3084891 72 17907849618329120281 314173 41 18266185113523266895 34934 24 18339075003287398469 352729 6 17977666407595787689 58051976 100 17970632887262175357 603831 33 18259990387792389540 6338986 31 18338504343888585003 7364860 26 17766844205550133937 81228 2 18334572443232420801 > 299.93 6.51 3.15 0.87 1.72 0.24 -0.07 4.28 0.66 -1.72 0.32 0.62 0.16 -0.59 > 619.962 > 172.4 > 2 5 10 $$$$