2402478 -OEChem-05092421203D 46 47 0 0 0 0 0 0 0999 V2000 2.8617 3.0933 0.6400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 -1.8752 -0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 1.9137 -1.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -3.2859 1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 -1.1929 -2.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 0.7051 2.7926 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5459 2.6843 3.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -2.4951 0.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 1.7779 2.4693 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0523 0.8670 -2.5092 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 -1.8205 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 0.1676 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -1.1139 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 1.2901 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 1.7349 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 -2.6996 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7439 -2.1738 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 -0.3202 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5372 0.3945 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 -2.9911 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4361 -2.1686 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 -1.3879 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 1.5609 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 2.3226 -1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2188 -0.6603 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6684 -1.9419 0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 1.9743 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 2.7360 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 2.5619 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 0.3425 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -2.0126 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 -2.2805 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 -1.2596 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 -2.9500 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 -0.1327 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 0.1263 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 1.3885 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -3.7438 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -3.4464 2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -2.1593 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -3.1732 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 1.1142 1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 2.4603 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 -0.4836 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1995 -2.7632 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 3.1900 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 27 1 0 0 0 0 10 30 3 0 0 0 0 11 18 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 30 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 25 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 26 1 0 0 0 0 21 41 1 0 0 0 0 23 27 1 0 0 0 0 23 42 1 0 0 0 0 24 28 2 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > 2402478 > 1.4 > 1 11 22 129 32 42 122 48 73 104 84 26 110 114 92 41 50 89 44 8 49 119 35 15 24 39 76 77 31 121 128 14 115 9 83 56 107 126 57 90 29 66 85 46 38 101 120 64 70 109 5 52 10 25 93 96 45 98 17 62 65 67 102 43 69 91 4 99 82 34 79 88 18 97 21 59 117 68 2 124 80 3 58 103 28 112 81 12 36 53 55 116 78 6 111 61 71 47 75 94 86 30 19 63 74 123 125 127 72 106 20 105 118 100 51 13 23 7 60 87 95 40 27 113 33 54 16 108 37 > 37 1 -0.18 10 -0.56 11 0.3 12 0.09 13 0.09 14 0.4 15 0.09 16 0.57 17 0.34 18 0.2 19 -0.15 2 -0.43 20 0.3 21 -0.15 22 0.63 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.13 28 -0.15 29 0.18 3 -0.57 30 0.36 37 0.15 4 -0.57 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.57 6 -0.52 7 -0.52 8 -0.66 9 0.91 > 10 > 9 1 10 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 6 12 13 19 21 25 26 rings 6 15 23 24 27 28 29 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0024A8AE00000001 > 88.5626 > 45.757 > 11112241 14 16771807004641107008 11578080 2 17313375683302826831 12156800 1 13497913933464378382 12422481 6 18122874707992854232 12788726 201 17773892916913598952 133893 2 17981289525942025207 1361 2 17896618356354671356 13617811 41 17970348329010994189 14114211 68 17970375739739995590 14787075 74 18261684734989896039 14955137 171 17846513538251334951 17492 54 18042423455173488836 20691752 17 18190165983079396534 20715895 44 17250604370704032077 23559900 14 17903913362069390879 463206 1 18119526531940847664 469060 322 18115043947482915956 5265222 85 17833552671577957340 6086070 43 17775850121427305297 > 569.1 8.78 4.38 2.29 1.77 0.59 1.09 3.69 -1.82 -2.95 1.21 -1.51 -1.36 0.19 > 1198.307 > 318.4 > 2 5 10 $$$$