5280633 -OEChem-04242402023D 43 44 0 1 0 0 0 0 0999 V2000 1.4918 1.5538 -0.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 -1.1933 0.4542 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 2.9043 0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7955 0.8489 2.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -2.6903 -1.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -3.4598 -0.5711 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 1.5119 -2.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7084 0.2248 -0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 -0.8847 1.5902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -1.1719 -0.0739 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7957 1.2913 -0.7479 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8778 -0.1618 -1.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -0.8534 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 1.5740 0.3383 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7216 0.5980 1.5111 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0201 -2.5616 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 1.3706 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 0.9669 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 0.7134 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 0.2950 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 0.4597 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 -0.2552 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5183 0.0632 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 -0.6514 1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.4923 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 1.9823 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -0.3883 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 -0.2790 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -1.0523 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6545 -1.5148 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8449 1.5232 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 0.7642 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 -1.3718 -0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 2.9807 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6319 0.7120 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -3.5931 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.9091 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9453 0.8133 -2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3829 0.8933 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.4182 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -1.0876 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4169 -0.1020 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3947 -1.2450 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 14 1 0 0 0 0 3 34 1 0 0 0 0 4 15 1 0 0 0 0 4 35 1 0 0 0 0 5 16 1 0 0 0 0 5 36 1 0 0 0 0 6 16 2 0 0 0 0 7 17 2 0 0 0 0 8 23 1 0 0 0 0 8 42 1 0 0 0 0 9 25 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 M END > 5280633 > 0.8 > 2 5 110 41 112 14 89 38 39 7 98 65 109 29 113 126 55 120 15 24 67 132 107 43 119 82 73 125 93 56 81 6 115 92 35 94 99 106 117 50 116 100 85 97 64 3 23 101 118 80 91 102 59 57 72 46 84 77 90 124 60 18 123 4 111 21 75 63 131 70 105 122 108 62 71 54 128 95 69 78 36 26 86 66 79 16 114 40 53 27 83 58 1 130 96 44 121 22 32 37 42 33 88 51 68 34 127 103 49 12 61 45 52 28 104 87 31 129 47 76 20 17 74 10 30 13 19 48 25 8 9 11 > 34 1 -0.43 10 0.34 11 0.28 14 0.28 15 0.28 16 0.66 17 0.71 18 -0.14 19 -0.18 2 -0.68 20 0.03 21 -0.15 22 -0.15 23 0.08 24 -0.15 25 0.08 3 -0.68 33 0.4 34 0.4 35 0.4 36 0.5 37 0.15 38 0.15 39 0.15 4 -0.68 40 0.15 41 0.15 42 0.45 43 0.45 5 -0.65 6 -0.57 7 -0.57 8 -0.53 9 -0.53 > 6.2 > 14 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 donor 1 9 donor 3 5 6 16 anion 6 10 11 12 13 14 15 rings 6 20 21 22 23 24 25 rings > 25 > 4 > 0 > 1 > 0 > 0 > 1 > 10 > 0050937900000002 > 66.983 > 71.129 > 10076449 9 18200038323142381958 10670039 82 13973698238224436504 10981352 41 17389697334147782203 114674 6 18334578988731054786 11595378 159 17274832320196876065 11796584 16 17676206879658542425 12107183 9 17697610892043650161 12596602 18 17203323446891011395 12778500 126 17489318425197276538 12892183 10 18272932687386475981 13402501 40 18114471079991539850 13533116 47 18273218577889799099 13583140 156 17845643876356712653 13955234 65 18343582949869786330 14211702 104 17678187190674886659 14251740 57 18409177601348158567 14251751 18 16009017380770227977 14251764 30 17557439690921536390 14252887 29 18408041805704563236 14341114 328 17203598311448635122 14863182 85 18408891745873714182 15142526 21 17057219340985688152 15183329 4 17022902333732384693 15342816 4 16877944914795419140 15419008 42 17896863376002122127 15635459 17 18187930538474982235 17844677 252 18201441320720420009 17859628 70 18340773645984541798 1813 80 16443069413283497693 19438510 23 15768061706004918458 1979834 28 18409169930282924986 20397935 70 18409173220776655731 20403669 9 17603868905733872755 20511986 3 17774703330334811199 20645477 70 18260269646207279549 21033650 10 15864919699049987325 21197605 99 18118971535982600355 21521721 280 18341623655047229372 21623969 137 18335137617946642059 2215653 11 18113337488689248967 22224240 67 18271794783604944168 23557571 272 17749098946575948508 23559900 14 17968107408143286111 239999 70 17967536787483749228 3004659 81 15791447119419797328 341906 21 14908183027974493899 3421961 26 18338801113349507350 427121 178 17917141797664627632 4340502 62 18131344250129576282 465052 167 17822002117296525456 5104073 3 18335983069611867697 58260988 521 18336533938529043706 6823239 73 17968673656584280054 8988823 20 18271800242107658533 960060 61 14634875249093538557 9841814 1 17168152247166462540 > 461.66 14.23 2.49 1.73 21.51 1.35 0.4 2.36 4.37 -4.44 -0.64 -0.64 -0.21 2.31 > 983.035 > 253.7 > 2 5 10 $$$$