9574101 -OEChem-04262402493D 69 71 0 1 0 0 0 0 0999 V2000 -1.6017 0.8414 -1.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 3.3328 1.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -2.1780 2.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 -3.1892 0.4657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -2.9610 -2.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 1.7237 0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -1.5482 0.1598 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 3.5842 -0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 -1.4289 -0.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 -1.8064 -2.2213 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 -1.1261 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -0.6223 0.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2305 -2.5028 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8747 -0.1170 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3611 -3.0046 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 -0.6227 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 3.1194 0.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5017 -1.9951 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8212 1.7366 1.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 3.2661 1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 0.7093 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 3.3551 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.3700 1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -2.3603 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 3.8222 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 2.5470 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 2.0634 -1.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 1.8455 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -3.0491 2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 0.8783 -2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 0.6604 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9481 0.1768 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -2.7217 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 -1.0588 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 -1.2341 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -0.5706 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 -2.4506 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -3.2447 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 0.8438 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2729 0.0783 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2709 3.6572 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9703 -3.2001 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7412 -3.9574 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8348 0.0922 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 -0.6795 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 -1.9083 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -2.3561 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 1.3352 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 1.2885 2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 3.7632 2.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 3.7355 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -1.4469 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -0.3645 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.5645 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 3.5646 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 4.4938 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 4.3538 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 2.6009 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 2.2093 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -2.9057 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -4.0896 2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 0.5273 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 0.1272 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -3.3708 4.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -2.8410 4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 -1.6789 3.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1681 -2.2915 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 -0.8412 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 -3.3810 -3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 69 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 52 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 55 1 0 0 0 0 9 34 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 34 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 21 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > 9574101 > 1.2 > 1 33 2 39 34 16 43 48 20 8 47 13 21 23 26 22 25 9 45 5 24 41 15 46 11 29 36 7 4 30 38 35 32 42 31 28 44 6 18 40 49 27 10 12 17 3 37 14 19 > 35 1 -0.57 10 -0.51 12 0.33 17 0.28 19 0.22 2 -0.57 21 0.57 22 0.58 23 0.33 24 0.66 25 0.44 26 -0.14 27 -0.15 28 -0.15 29 0.28 3 -0.43 30 -0.15 31 -0.15 32 0.09 34 0.41 4 -0.57 5 -0.34 52 0.36 55 0.37 58 0.15 59 0.15 6 -0.51 62 0.15 63 0.15 67 0.4 68 0.4 69 0.4 7 -0.9 8 -0.73 9 -0.85 > 15 > 12 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 anion 1 7 cation 1 7 donor 1 8 donor 1 9 donor 3 9 10 34 cation 4 6 17 19 20 rings 6 11 13 14 15 16 18 rings 6 26 27 28 30 31 32 rings > 34 > 2 > 0 > 1 > 0 > 0 > 1 > 6 > 009216D500000001 > 62.3366 > 60.896 > 10653451 467 16891471407394040379 10675989 125 18192426600931088153 10693767 8 17986943249735496263 11285246 1 18263382389632921018 11513181 2 17188412664304932846 12107698 1 18343586256762554404 12422481 6 16914853377626470281 1361 2 17841715406693232767 14866123 147 18129956576836477553 14931854 50 18263089949747109756 15420108 30 17694236473721029305 17909252 39 18060145353425120854 19311894 1 18054521209599081228 20775438 99 17553182703599211487 21796203 349 12708731469757522353 354706 35 18119826934970151734 3729539 64 18267870678123744847 437795 70 18053971488361437294 513532 50 18340475755959356410 56611832 218 17042885162393200319 56633871 153 18056782943434933685 > 645.45 12.25 5.52 2.8 8.1 1.9 -1.6 -9.55 9.13 -1.9 -2.48 -2.54 -2.02 -3.02 > 1333.229 > 368.2 > 2 5 10 $$$$