66824847 -OEChem-04192403453D 46 48 0 0 0 0 0 0 0999 V2000 -0.8734 1.0460 -0.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3053 2.6154 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5959 -1.5669 0.2063 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2416 -3.1802 -0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 -1.0297 -0.0682 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 0.4238 -0.6984 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4483 -1.9895 -0.0746 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9969 0.1176 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.9315 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.3414 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9924 -2.4577 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 -1.3150 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -0.5730 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -0.0398 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 1.7337 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 2.0478 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 1.5790 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 3.2145 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 2.9101 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 0.6713 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 1.1179 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 -0.6570 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 0.2361 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0651 -1.5390 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 -1.0924 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0495 0.7255 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6482 0.7730 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 -2.7942 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6254 -1.4226 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3766 -0.8243 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 0.5275 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 -3.0903 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9354 -3.0901 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1595 -0.7848 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9317 -1.7104 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 -1.4122 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 0.1768 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 0.7900 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -0.8306 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 -0.2427 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 4.1675 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 3.5897 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6686 2.1466 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 -1.0425 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5419 0.6187 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -2.5666 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 40 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 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 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 2 3 -1 7 1 M END > 66824847 > 0.8 > 1 50 54 25 17 84 97 18 109 119 104 127 79 102 32 40 74 3 143 121 5 133 77 115 92 94 103 31 45 26 107 21 116 129 30 4 34 10 123 49 23 108 43 82 114 117 130 67 89 87 118 46 27 100 125 13 52 75 16 86 85 83 44 137 72 70 105 135 71 51 60 91 141 112 20 55 22 35 90 65 8 7 145 47 136 69 110 48 138 29 39 139 98 11 73 64 6 144 28 19 66 2 78 99 88 33 113 14 111 80 15 124 56 81 41 126 53 131 9 68 24 93 132 37 59 128 12 140 120 134 106 122 95 62 61 42 101 57 142 96 58 63 36 76 38 > 29 1 -0.28 13 0.27 14 0.3 15 0.71 16 0.05 17 0.09 18 -0.15 19 -0.15 2 -0.57 20 0.05 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.13 3 -0.52 4 -0.52 40 0.37 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.81 6 -0.73 7 0.91 8 0.27 9 0.27 > 8.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 donor 5 1 16 17 18 19 rings 6 20 21 22 23 24 25 rings 6 5 8 9 10 11 12 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03FBAA8F00000001 > 36.6333 > 50.828 > 10050765 1 18411415107485114496 10258705 36 17844257229487731902 10411042 1 18411136952533343585 10595046 47 18335141943770071288 10939801 23 18270962462045327870 11297750 10 18339912792868533521 11497681 19 18261958432735427462 11524674 6 16702015370380558054 117089 54 18118410776747687667 11963148 33 17908699879808324727 12107183 9 18342188722277466937 12144603 126 18335434438736629796 12166972 35 17967816063215684892 12592606 108 18411133680538325975 12760667 363 18334861614900600507 13248334 5 17978228584308084761 13631057 29 18409448055665264320 13690498 29 18113611279700552101 14068700 675 18410012130752846296 14347332 77 18334859394334709748 14394314 77 18337675209100575633 14671636 106 18411419497848227126 14931854 50 17821721732740712019 15183329 4 13984662525617341732 15728490 51 18412260658418188710 15927050 60 17767682025485352500 16992752 21 18340779182561428868 17134984 74 16877660188760672034 17780758 139 17989208105949009233 18335252 98 18131352991437972366 20028762 73 18413389834858304614 20567600 70 18411138052176197026 20691028 202 10015281539219680066 21033648 29 14404644094818582705 21223535 225 14996558443561885845 21267235 1 18410015463921209321 21315759 148 17274547504115228468 21585483 132 18266442382292079583 23389318 12 18113623396251485766 23522609 53 18121535459760275668 23559900 14 18410285939028661553 23622692 118 18409169904656221620 270888 7 9439407925734403617 2838139 119 7997677684658757624 3004659 81 18114178665848800513 335352 9 18411135810873792501 3383291 50 18335703870757262747 4015057 19 17313403222770843036 439807 62 18333734641236187407 4461854 278 17988933309246310190 5104073 3 17988370355540623217 559249 180 18411138022633691421 5718773 13 18410009948645449295 5874358 3 16915079954584964535 59682541 35 17917423238450444226 59682541 52 13623798407203324096 6138700 20 18408604769170750811 636775 8 18341621387214839614 6700243 42 17911829919631985332 7970288 3 18410290315684517707 96874 4 18333728005607128322 999808 66 17822587070277779451 > 476.07 22.66 3.37 0.79 17.93 0.74 0 -22.37 1.56 -3 0.35 0.58 -0.06 -1.72 > 1011.705 > 265.9 > 2 5 10 $$$$