6286867 -OEChem-05241311523D 47 49 0 0 0 0 0 0 0999 V2000 9.0635 -0.9074 0.1536 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 2.2100 -0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.4230 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 -0.0145 0.0637 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2404 -0.1125 -0.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 -0.4181 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 1.0324 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -1.0489 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 1.2489 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.6318 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3444 -0.2257 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 0.5880 1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 -1.5200 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2647 0.8449 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 0.8653 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2465 -1.7321 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 0.6330 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 1.0891 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1289 -0.6556 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6374 -0.3033 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -1.5840 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 0.7956 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 -1.7717 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 0.6078 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 -0.6758 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.2349 1.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 0.1886 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 2.0046 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 0.3822 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6174 -1.6373 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -1.7315 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 1.6746 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 1.9700 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 -0.4458 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 1.0657 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 1.1237 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 -2.3806 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9183 1.8606 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 0.8923 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6289 -2.7349 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3257 1.4705 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1981 -0.8206 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -0.9634 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 -2.4441 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 1.8180 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9381 -2.7777 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 1.4703 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 18 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 5 43 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 14 17 2 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 19 42 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 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 M END > 6286867 > 0.8 > 2 4 7 13 15 5 11 9 18 3 14 8 16 6 17 12 10 1 > 36 1 -0.18 10 -0.04 11 0.1 12 0.14 13 -0.15 14 -0.15 15 -0.14 16 -0.15 17 -0.15 18 0.62 19 -0.15 2 -0.57 20 0.12 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.18 3 -0.84 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 42 0.15 43 0.37 44 0.15 45 0.15 46 0.15 47 0.15 5 -0.55 6 0.37 7 0.37 8 0.37 9 0.37 > 6.2 > 7 1 2 acceptor 1 3 cation 1 4 cation 1 5 donor 6 11 13 14 16 17 19 rings 6 20 21 22 23 24 25 rings 6 3 4 6 7 8 9 rings > 25 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 005FEE1300000002 > 91.5713 > 35.524 > 10 15 12391515282225778495 10066227 49 18339924822681156294 10299344 5 18413390934226773327 106641 1 14620792712760329058 10670039 82 16443058375091017933 11135609 127 15936986244770223758 11315181 36 18131073745179906401 11524674 6 16917348160767128935 11638347 137 15482676754418951358 11719270 70 17917714599693323574 11991303 11 14779556720260239499 12516196 113 18202001027952479560 12643181 29 17822013133349933659 12741549 16 17775283855026376857 13540713 4 16010742639000389856 13668630 136 18202006508225267310 13685833 64 18413108355527805220 13885169 127 18412263909381682853 14118638 360 15936680472140093268 14123256 10 17749389256337108210 14150022 121 11311788258629077467 14178184 131 17844807186901156439 14251764 18 18343023297913288477 14251764 46 18411138026031859882 14294032 229 16009860620653845685 14428016 248 12463565210385659738 14849402 71 9727340347279087419 15183329 4 17821727225845147307 15198563 99 17168133504382715333 15419008 91 18339058450442034245 15690457 1 18130785668237393302 15706992 2 11819271110825524367 15716309 27 18131349717406653581 15728490 51 9943515311599884233 18006028 8 17632577145349849185 18335252 114 12396297080345189366 18603816 31 17774993640344781967 19301679 30 17345482488148934654 19841028 212 18268993099213546906 20281389 69 11023831660302098463 21033648 29 9582938135724185390 21150785 3 18040152911558040714 21267235 1 18113058246858310781 21315763 28 18411981364420064756 22224240 67 13110962024327063772 22956985 138 16770727026930652446 232437 2 18409449164447496854 23536379 177 18341896303412361921 23559900 14 18261673795729149129 23576562 1 14057582235297659743 249057 25 18270978902574488897 249057 3 15936415563089561830 28498 318 18408884018937313613 3004659 81 18260545640895540529 335352 9 18041000660750804686 4073 2 17969225705789352714 4098825 35 18410572873156374301 4325135 7 18411699881201462406 4339292 15 16558456592483869271 5104073 3 14907322217892067583 5758199 1 11527950058035977749 59682541 35 12751233722693639607 59755656 215 17530963570534323235 59755656 520 15140960694978775411 6081469 158 16153423918950036130 6138700 20 18333169466827375255 6438161 24 18186794773703338458 6441014 3 16761997870632004510 67123 10 18411418419615880324 9663363 56 16630522921103278520 9689198 14 11458425730303986410 99344 41 18343021073426827655 9953998 17 12391507590055350469 > 495.55 27.75 1.65 0.92 6.07 0.18 -0.32 10.95 2.99 0.24 0.2 -0.1 -0.07 0.01 > 1041.686 > 279.4 > 2 5 10 $$$$