6093163 -OEChem-03282406233D 46 47 0 0 0 0 0 0 0999 V2000 -1.7609 0.6801 2.4878 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6545 0.5019 -1.2837 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 -2.9713 0.4789 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 -1.7936 0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 2.1435 2.6011 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1634 -1.0504 -1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 0.7410 3.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 -0.3388 2.7474 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7349 0.9444 -2.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 1.2238 -0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 0.8015 -0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7641 -1.7731 -0.9698 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -3.5589 1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 -4.1329 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 -2.5519 0.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 0.3122 0.1186 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 1.4384 0.1487 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 2.3403 -0.1746 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 0.5247 0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 0.3595 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9606 0.4477 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 -0.1033 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5676 0.5687 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 0.2390 -1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 1.2463 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 0.2829 -1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9669 -0.2839 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -1.1551 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.2167 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8493 0.8772 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 3.4256 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 -1.6019 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3242 0.6906 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9192 0.1267 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2824 0.1825 -2.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -1.9409 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.9266 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 -0.2631 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 3.3960 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4885 4.3394 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6878 3.4384 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -2.4576 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 2.9138 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0917 -1.4811 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -4.2449 2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -4.9315 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 4 28 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 11 30 2 0 0 0 0 12 32 2 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 25 2 0 0 0 0 18 25 1 0 0 0 0 18 29 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 33 1 0 0 0 0 24 26 2 0 0 0 0 24 34 1 0 0 0 0 26 35 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 28 36 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 32 42 1 0 0 0 0 M END > 6093163 > 1 > 1 14 10 6 16 8 11 13 5 12 3 9 17 18 15 2 7 4 > 41 1 1.49 10 -0.65 11 -0.57 12 -0.57 13 -0.77 14 -0.77 15 -0.7 16 -0.46 17 -0.49 18 -0.66 19 -0.01 2 1.49 20 0.1 21 -0.01 22 -0.12 23 -0.15 24 -0.15 25 0.65 26 -0.15 27 0.03 28 0.42 29 0.39 3 1.51 30 0.56 31 0.06 32 0.5 33 0.15 34 0.15 35 0.15 38 0.4 4 -0.55 42 0.06 43 0.5 44 0.5 45 0.5 46 0.5 5 -0.68 6 -0.68 7 -0.65 8 -0.65 9 -0.65 > 8 > 19 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 13 acceptor 1 14 acceptor 1 15 acceptor 1 16 donor 1 18 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 17 18 25 cation 4 1 5 7 8 anion 4 2 6 9 10 anion 4 3 13 14 15 anion 6 18 22 25 27 29 30 rings 6 19 20 21 23 24 26 rings > 32 > 0 > 0 > 1 > 0 > 0 > 1 > 5 > 005CF96B00000001 > 85.8154 > 96.597 > 10366900 7 17822297820893122428 11135609 187 18341891917929109764 11421498 54 17703790284804284923 12156800 1 17834080389333966483 12166972 35 17989202655081972944 12236239 1 17846780685016445621 12422481 6 17754211800710790371 12592029 89 18260820458652031723 12597179 24 17313105233259257667 12730499 353 18113899330092656199 12788726 201 16773802484969255527 13009979 54 17199947748267047567 13140716 1 18267610020985633506 13533116 47 17988923375397487932 13540713 4 18193289700879559590 13583140 156 17385725841949448680 1361 2 18187922915271866781 13911987 19 18262533566793578076 14040221 97 17831594436915399180 15324884 4 17750256827172935616 15328829 1 17773885190557038579 15420108 30 16979011800451367856 17138139 8 17773012337107031879 17349148 13 18131639967566013052 1813 80 13183021842983880131 20028762 73 18130787798831680246 20511986 3 17774717541728069889 20600515 1 14045734971701107093 21033648 144 18341056319673879116 21033648 29 17894632586778149148 21033650 10 15768958821435425288 22393880 68 18334849516015144823 23559900 14 18271800271834695884 266924 1 17916588614145123201 335352 9 18410294727559520796 3633792 109 18342455920086436068 4258327 124 17825679021292124068 469060 322 17243026918696085114 474 4 18343590646446055228 59755656 215 17895468129641612013 > 584.72 12.99 3.33 2.24 2.43 2.74 1.82 -5.83 -7.54 -3.9 0.64 3.48 -0.4 0.25 > 1211.453 > 333.9 > 2 5 10 $$$$