60184195 -OEChem-03292408133D 70 75 0 1 0 0 0 0 0999 V2000 -3.9151 4.9018 -1.9015 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -5.2138 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -3.3850 -1.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 0.9035 -0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 1.9134 1.2375 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.2859 0.1742 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 -2.0386 -0.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -0.1937 1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.9416 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 0.8335 2.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -1.4114 1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 -0.6434 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -1.8838 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -2.8969 -0.2542 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5372 -0.0061 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 2.8319 1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.9134 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -2.6565 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4779 -2.1268 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -4.1652 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 -1.9818 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 -3.1124 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 1.2353 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1253 -3.1767 -1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3807 -3.2230 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4785 -3.4321 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 3.9394 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -0.6388 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 1.5215 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 0.5969 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 3.9074 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 4.9974 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8488 4.9332 -1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 6.0231 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 5.9912 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 -0.0858 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 0.8472 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 1.0972 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 0.9012 2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 0.7071 2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 -1.9975 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -1.1059 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -3.1549 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0097 3.2969 2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 2.3258 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -1.1258 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -4.0445 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -4.4823 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 -1.8703 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1266 -1.0944 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 -2.6799 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4867 -4.0332 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 1.9807 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3614 -3.0847 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 -4.0829 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7942 -4.4463 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2027 -2.7305 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 -3.7955 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 -3.7532 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 -2.8173 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -1.3937 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 2.4816 0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -6.0088 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 3.0891 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 5.0336 1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 6.8468 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 6.7896 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3095 0.3232 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9107 -0.2855 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4024 -0.9984 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 20 1 0 0 0 0 2 63 1 0 0 0 0 3 18 2 0 0 0 0 4 30 1 0 0 0 0 4 36 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 14 43 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 27 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 29 2 0 0 0 0 23 53 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > 60184195 > 1 > 1 46 32 37 36 29 10 7 30 55 39 20 27 38 50 51 14 13 52 4 54 47 28 43 21 48 26 49 17 44 45 41 42 23 53 12 16 9 22 31 18 3 11 25 34 40 15 6 5 19 8 33 24 35 2 > 39 1 -0.19 10 0.21 11 0.3 12 -0.16 13 -0.33 14 0.48 16 0.41 17 -0.15 18 0.57 19 0.06 2 -0.68 20 0.28 23 -0.15 24 0.26 27 -0.14 28 -0.15 29 -0.15 3 -0.57 30 0.08 31 -0.15 32 -0.15 33 0.19 34 -0.15 35 -0.15 36 0.28 4 -0.36 5 -0.69 53 0.15 6 -0.66 61 0.15 62 0.15 63 0.4 64 0.15 65 0.15 66 0.15 67 0.15 7 0.05 8 0.16 9 0.21 > 8.2 > 12 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 cation 1 7 cation 4 5 8 9 10 rings 5 19 21 22 25 26 rings 5 7 12 13 15 17 rings 6 15 17 23 28 29 30 rings 6 27 31 32 33 34 35 rings 6 6 8 11 12 13 14 rings > 36 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0396568300000001 > 106.8446 > 61.082 > 10930396 42 17981015795534804360 10985338 1 17103103808312642977 11049842 53 16973917191691047441 11297750 10 18201995582161088088 11445158 3 17544790140235083603 12741549 16 18041554875199825111 12788726 201 18335977640630592354 1361 2 16969981463917392651 140371 6 17981899836283535307 14040222 75 17688539036414804617 14289585 56 17986654038905416367 14294032 229 18339658741030674112 14556957 393 18116453590320588756 14955137 171 18049734206270276459 15082195 135 17260733570283308247 15160629 57 17252568583813619792 15198563 99 18410859879771472621 15210252 30 18052537965236586936 15439362 3 17619343647369349633 16628084 112 18411986849568568706 16988056 13 18050831502422648765 17899979 129 17400648117219710884 18785283 64 17545040863198170035 19319366 153 17404274332590699005 20642791 105 18268414768796830418 20642791 178 17115504598165669848 20642791 239 17616549783706359248 20775438 99 17767373839178152412 21365058 113 18120094146270742543 21641784 216 18267041594347451844 21792964 463 17677349254849085932 21792965 270 17543920456432803240 23559900 14 17626382685712343786 24771750 20 17183650701189689028 266924 87 18412263904664982198 283562 15 18413114956777027682 3103668 31 18409445895307640805 376196 1 17177165802825349177 4353968 344 18341897369065697726 4394409 98 16820533133626440276 46939830 39 17971192766593704981 57527358 35 15512867071258734254 6608658 132 17831325031345637924 6677587 24 16668492150256740205 > 701.04 10.94 9.69 1.44 10.76 16.63 0.14 -8.54 -4.03 -11.53 -3.18 -0.65 0.63 1.65 > 1537.92 > 385.3 > 2 5 10 $$$$