6430845 -OEChem-05112401333D 35 37 0 1 0 0 0 0 0999 V2000 -1.1396 -2.2964 -0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 1.0446 1.4976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 0.6298 -0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -0.0243 0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 0.8606 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 0.7648 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 1.5212 -1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 1.4614 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 -0.5005 0.9158 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7934 -1.2667 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -1.4171 2.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.7727 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -0.0867 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 -1.0272 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 0.3509 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 0.1142 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -0.5733 -1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 1.2174 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 0.3252 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 1.6279 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 1.5153 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 0.1504 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 2.5509 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 0.9692 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 0.8847 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9392 2.4600 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 0.3523 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 -1.9187 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8376 -0.8682 2.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -2.2048 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7448 0.0858 1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 -1.5652 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 -0.7561 -2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 0.7574 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6694 2.2902 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > 6430845 > 0.6 > 1 34 35 13 12 52 40 15 50 16 61 14 5 42 23 19 39 57 55 46 8 24 38 59 21 41 17 26 58 47 18 32 27 43 37 25 11 49 60 44 54 20 4 31 30 28 29 22 33 9 51 36 53 2 56 48 10 7 45 3 6 > 18 1 -0.57 10 0.42 12 0.09 13 -0.15 14 -0.15 15 0.08 16 0.08 17 -0.15 18 0.56 2 -0.36 3 -0.36 31 0.15 32 0.15 33 0.15 4 -0.81 5 0.27 6 0.27 9 0.33 > 4.6 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 5 2 3 15 16 18 rings 5 4 5 6 7 8 rings 6 12 13 14 15 16 17 rings > 18 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 0062207D00000001 > 43.067 > 35.68 > 10498660 4 18339917126500383205 11132069 177 17968102988943620301 11543360 7 15841543081105311941 11552529 35 14419286363473465705 11725454 13 18338783563875537947 12077114 3 18335419092654301250 12251169 10 15357700794447496947 12403259 415 18342749519470570894 12500047 106 18412262869873029214 12553582 1 13767922434205758578 12670546 177 16845566513576475365 12670546 56 16950561120616481076 12730499 353 18131078104192143863 12788726 201 16446194323871603827 12892183 10 14924229279158860741 13103583 49 13046227104963885589 13583140 156 18335980969240621026 13675066 3 17821447954534753906 13764800 53 18261121759418943537 13965767 371 16012678565829289925 14178342 30 17240766219847319306 14251764 30 13901045882106866181 14341114 328 16226342438470284453 14576447 43 14908174244550284444 14957384 54 18187072988393897060 15209294 21 16877660179922654288 15375358 24 18272087197219850792 15375462 189 14129054833520225024 15842332 3 15720257121508011042 17349148 13 16916782934217360526 18186145 218 18201725003014707527 18219364 16 18130233751748714667 18915474 69 14189571935979933524 192875 21 17203044072016217170 19433438 48 15502367984805512616 19862831 5 15913324680576356417 200 152 15482671277523252024 20645477 56 18412268371293241907 20645477 70 17846227609419847310 20671657 53 12679454287928193387 20715895 44 16083317854687431693 20871999 31 14692564404269446449 21065198 48 15430046456474422165 212916 134 17822285773689198737 21634736 98 14261052320656771480 21639500 275 17203610402066429410 231179 274 18343019999842498864 23382010 3 17274808160879267343 23402539 116 18201710748007858516 23402655 69 16558756676119231041 23500284 214 18408043992127630153 23503953 91 16443061724959740760 23557571 272 18338247053988886111 23559900 14 17969232148335501822 23622692 88 15936408918595871647 25 1 17917714569427766999 27216 239 18335984267796492441 3082319 5 15554448474668752829 328317 168 18341885295163191213 4028521 119 18060135427476215681 474 4 17846776325450670785 495365 180 18338792304176722578 57096353 35 15554729983957859128 59027123 10 16415207727941803496 603831 33 15195567883525855943 633830 44 17774450365150557319 7097593 13 16008744693196332848 7615 1 16298958682903854423 83771 10 10737289030351618695 90316 7 16009032752853878429 > 347.84 8.79 1.69 1.59 0.52 0.31 0.21 -4.69 -2.95 -2.09 0.01 1.07 0.19 0.37 > 752.695 > 193.4 > 2 5 10 $$$$