198693 -OEChem-04192417223D 54 56 0 1 0 0 0 0 0999 V2000 -7.2907 1.6781 -0.9718 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1737 0.9562 1.0701 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7472 3.0430 0.6313 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -5.8396 -0.8953 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -5.3130 0.7218 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 -5.6776 1.1367 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1036 1.3261 0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 -0.6683 0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4522 0.2639 -0.9431 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 2.5170 0.0683 N 0 0 2 0 0 0 0 0 0 0 0 0 4.0216 3.7107 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 2.3455 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 1.3142 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 3.9630 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 1.4799 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 1.5039 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1937 2.7126 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9387 0.5236 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 0.8509 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 -0.9430 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 0.3250 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 0.7963 -1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 -1.8326 -1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 1.2064 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 -1.4038 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1055 1.4527 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 -3.6438 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6349 1.0971 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -3.1830 -1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 1.5073 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -2.7542 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5489 1.7733 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -5.0874 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 4.5984 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 3.6005 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 3.3159 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 1.9415 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 1.0179 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 0.4877 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 4.4102 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 4.6852 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 1.9658 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 0.4955 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 0.7768 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2389 2.8312 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 0.5201 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -1.4872 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 1.2493 1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -0.7307 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3042 1.0485 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 -3.8605 -2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5844 1.7817 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -3.1043 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6055 -1.4784 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 21 1 0 0 0 0 8 54 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 28 1 0 0 0 0 22 46 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 24 30 2 0 0 0 0 24 48 1 0 0 0 0 25 31 2 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END > 198693 > 1 > 1 53 48 3 10 47 62 42 56 19 60 50 11 13 49 12 18 32 54 58 63 25 38 2 9 44 5 52 30 59 29 46 20 41 26 35 24 15 6 21 45 23 37 51 17 7 61 39 40 36 57 22 43 16 31 55 4 8 33 27 14 28 34 > 43 1 -0.34 10 -0.81 11 0.27 12 0.27 13 0.41 14 0.14 15 0.28 16 -0.12 17 -0.29 18 0.57 19 -0.14 2 -0.34 20 -0.14 21 0.71 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.14 27 -0.14 28 -0.15 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 1.16 33 1.16 4 -0.34 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 53 0.15 54 0.5 6 -0.34 7 -0.56 8 -0.65 9 -0.57 > 9.8 > 8 1 10 cation 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 8 9 21 anion 6 10 11 13 14 16 17 rings 6 19 22 24 26 28 30 rings 6 20 23 25 27 29 31 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0003082500000001 > 64.3497 > 40.651 > 102385 1 17761773962208355509 10254770 206 18192414305252103618 11007060 377 18127687343270470577 11135926 11 18411132512285973237 11991303 11 18189619508583417620 12549972 3 17486482982837258240 12643181 29 18410576211210620052 12788726 201 17836344309582322415 14150023 24 18409720759854792544 14150023 79 18410012096498277979 14395042 70 18197786488219424369 14725015 67 18267580209749240652 14790565 3 18410005529308555630 14866123 147 18267021850198675658 15183329 4 17989211455976604972 15357212 105 17900555763281449652 15927050 60 18412823616086624519 16628084 112 18266175029362036236 19301676 85 18271258110626028478 19301679 30 17614853241660317386 19958102 18 18192413372283234214 20286276 3 17978512258929835196 20554085 129 18262250931906444894 20587220 46 12260109637234914403 21120745 212 17182513222161559069 21133410 171 16971613604117138082 23559900 14 18270676602076722408 249057 3 18410013252462146404 3383291 50 18341327894402838786 3411729 13 18340488846855897261 3418910 222 17401203370934954026 4058900 60 18341337712750909449 4073 2 18124028195029240688 4408954 64 15723931792663182443 504843 32 18189612916294063999 5385378 56 18338522920028692465 59755656 520 18340201990069134085 6371380 46 18342457054422025968 6669772 16 18411984633006377950 6698420 124 18272380809764052240 6898599 12 18048603904491512476 77188 2 17618221707089933911 > 612.89 17.03 7.25 1.17 3.83 15.1 0.15 -23.46 0.34 1.12 -1.25 -0.93 0.38 -0.21 > 1312.75 > 340.3 > 2 5 10 $$$$