65174 -OEChem-04252412333D 51 52 0 1 0 0 0 0 0999 V2000 -0.9095 0.7500 -0.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 0.9757 1.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.0803 -0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 2.1724 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -2.1542 1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6515 1.1086 -0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8332 -1.7647 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -1.3715 -1.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 -2.1193 0.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 3.4399 0.0902 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3784 -0.5289 -0.0111 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 0.9702 0.2528 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 0.1231 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -1.2642 -0.7804 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2633 0.9968 -0.3425 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4571 -1.9571 -0.2667 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5605 0.2951 0.0751 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6872 -1.0959 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 1.6379 0.0726 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9359 2.3012 -0.6820 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0634 1.2951 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 0.5487 0.3459 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2073 -0.0433 1.0194 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5385 -0.6610 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -0.2137 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -1.3606 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.0039 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2423 -1.1844 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 1.3427 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5565 -2.9544 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 0.2430 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 -0.9980 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 2.4341 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 2.6751 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9369 1.7958 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 0.5719 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 1.2540 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -0.8260 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -1.8052 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 2.7139 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 -2.5607 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4728 0.6492 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8942 -2.6304 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9511 0.0899 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 -1.0473 2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -1.4833 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 3.8129 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 3.1409 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2703 1.0473 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7582 1.8207 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.1046 -2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 15 1 0 0 0 0 4 40 1 0 0 0 0 5 16 1 0 0 0 0 5 41 1 0 0 0 0 6 17 1 0 0 0 0 6 42 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 26 1 0 0 0 0 8 51 1 0 0 0 0 9 26 2 0 0 0 0 10 20 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 22 1 0 0 0 0 11 25 2 0 0 0 0 12 25 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 M END > 65174 > 0.8 > 2 49 8 47 9 44 15 35 14 19 30 27 29 58 61 53 63 48 17 57 39 59 46 34 23 41 50 10 33 42 7 56 24 54 45 62 13 38 26 55 28 31 40 18 4 43 25 12 21 32 60 11 52 36 3 51 20 16 5 37 6 22 1 > 34 1 -0.56 10 -0.99 11 -0.7 12 -0.85 13 0.28 14 0.28 15 0.28 16 0.28 17 0.28 18 0.28 19 0.56 2 -0.56 20 0.27 22 0.25 23 0.28 25 0.5 26 0.72 3 -0.68 39 0.4 4 -0.68 40 0.4 41 0.4 42 0.4 43 0.4 47 0.36 48 0.36 49 0.4 5 -0.68 50 0.4 51 0.5 6 -0.68 7 -0.68 8 -0.65 9 -0.57 > 6.4 > 21 1 1 acceptor 1 10 cation 1 10 donor 1 12 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 acceptor 1 7 donor 1 8 acceptor 1 9 acceptor 3 11 12 25 cation 3 8 9 26 anion 6 13 14 15 16 17 18 rings 6 2 19 20 21 22 23 rings > 26 > 8 > 0 > 0 > 0 > 0 > 1 > 2 > 0000FE9600000002 > 67.6466 > 106.702 > 10369192 42 17484771022211999888 11578080 2 12390694982549208059 11796584 16 18131069312294018134 12011746 2 18409721838571721759 12236239 1 18259703397645296996 12553582 1 18188191140063400873 12596602 18 13398334777409646286 12788726 201 18044089060328264904 13533116 47 18268991071592408917 13911987 19 15140973833099272606 13914758 101 14907902635688335691 14341114 176 18411984688866890833 14420673 8 18410578340306883391 15183329 4 18411700950506017562 15196674 1 18411417332108141006 15537594 2 17894628119837620419 17492 89 18193556903215975199 1813 80 17822004328999240692 19784866 140 18040711450812339570 19784866 240 18343027695975565245 20681677 155 18333728005511864713 21033648 29 17346019109383282009 21267235 1 18335424608273478755 221490 88 18190184683388134640 22393880 68 18040703775632058477 22950370 63 18409449163735106548 23379529 103 18265060317196724746 23559900 14 18341885338165981897 3004659 81 18335141977929414798 335352 9 18411136914442751109 350125 39 18410856586116864957 5104073 3 18200602513676116145 559249 180 18410008802258284159 59755656 215 18269553845520730237 9709674 26 18119527884691924555 9981440 41 17183060787352637648 > 467.3 13.11 2.7 1.22 4.88 0.85 0.46 -7.18 -2.32 -0.09 -0.14 0.85 -0.31 0.19 > 963.298 > 262.4 > 2 5 10 $$$$