59857959 -OEChem-05122404483D 56 59 0 1 0 0 0 0 0999 V2000 1.0443 -0.6757 -1.3995 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 -0.4978 0.6708 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -4.2162 1.2553 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5742 3.5920 0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 3.8780 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 2.5064 1.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 0.5635 -1.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2248 1.6398 0.9384 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2286 -2.9998 -0.6786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 1.8568 -0.8163 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 0.9553 -0.2682 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8167 0.3754 1.0459 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 0.2695 1.2171 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 -1.7386 -0.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1506 0.1950 0.9221 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 -2.4199 -0.3639 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 -4.6108 -0.7345 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 1.0788 -1.7645 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5247 1.7486 -1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5093 2.6435 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 1.6735 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 0.5615 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.6121 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 0.3219 -0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 2.7048 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 0.4494 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -0.3299 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 -0.6429 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -1.7922 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6509 -2.6015 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 1.6033 1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7320 -0.9096 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7961 -1.9763 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -3.6994 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0509 -1.1094 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 2.2150 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 1.3648 -2.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 2.3295 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 -1.5615 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 -0.5751 -2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 0.7550 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 1.2672 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 -0.2881 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 4.5966 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 -2.3421 2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7718 0.9206 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 2.2385 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 1.3906 2.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 2.1847 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7595 -0.3667 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4676 -2.0005 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 3.2843 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 1.7602 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 2.0865 2.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -4.3467 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -5.5910 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 20 2 0 0 0 0 5 25 1 0 0 0 0 5 44 1 0 0 0 0 6 25 2 0 0 0 0 7 26 2 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 9 33 2 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 13 27 2 0 0 0 0 14 28 2 0 0 0 0 14 33 1 0 0 0 0 15 32 1 0 0 0 0 15 46 1 0 0 0 0 16 29 1 0 0 0 0 16 34 2 0 0 0 0 17 34 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 45 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 35 2 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 36 52 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 M END > 59857959 > 1 > 1 109 22 133 143 127 93 144 43 126 63 103 73 89 132 153 77 62 13 121 115 31 145 118 40 25 120 70 136 71 101 58 91 16 152 80 45 105 23 146 39 78 111 88 96 112 42 61 139 98 49 107 83 30 54 97 140 108 46 137 81 47 122 94 113 36 124 53 148 28 41 128 65 142 59 90 92 99 74 29 85 75 33 34 129 86 56 55 147 76 69 24 68 51 14 130 119 60 57 141 149 10 135 66 100 44 82 114 11 150 151 27 9 104 8 117 95 79 72 67 35 131 123 106 116 64 102 38 17 48 84 87 20 110 4 50 138 19 134 7 37 21 12 125 32 5 26 18 52 6 2 3 15 > 44 1 -0.45 10 -0.39 11 -0.65 12 -0.42 13 -0.51 14 -0.66 15 -0.5 16 -0.57 17 -0.88 18 0.44 19 0.28 2 -0.37 20 0.58 21 0.12 22 -0.28 23 0.37 24 0.37 25 0.71 26 0.63 27 0.54 28 0.64 29 0.14 3 -0.08 30 -0.11 31 0.37 32 0.11 33 0.77 34 0.46 35 -0.3 36 0.28 4 -0.57 41 0.37 44 0.5 45 0.15 46 0.4 5 -0.65 50 0.15 51 0.15 55 0.4 56 0.4 6 -0.57 7 -0.57 8 -0.22 9 -0.57 > 10 > 16 1 11 donor 1 13 acceptor 1 14 donor 1 15 donor 1 17 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 acceptor 3 16 17 34 cation 3 5 6 25 anion 4 10 18 19 20 rings 5 3 16 29 30 34 rings 6 1 10 18 21 22 23 rings 6 12 14 15 28 32 33 rings > 36 > 2 > 0 > 1 > 0 > 0 > 1 > 14 > 03915C2700000001 > 89.7547 > 81.52 > 10 15 17203612622575278657 10939801 23 18130224968846750368 117089 54 18191591848235911778 1200032 147 12319444499092897142 12422481 6 18057332686426956893 13533116 47 18333455335091367058 13782708 43 17749107777529452919 14068700 675 18335985259902425931 15183329 4 18260838124152836619 15347590 135 18271796952706036096 15475509 35 18411696604115035384 15510800 12 17530975674037253778 16728300 4 18265043644207190671 17492 89 18192148201445847438 1768 124 18410573998084514447 19301679 30 18336546023342713077 19841028 212 18041271063940532978 20691028 202 9583514300843654519 21033648 29 15482399651887668331 22889206 1 17985258835896103528 2838139 119 11959734824104290505 3886686 26 17477211526596627078 474113 269 18410005508472152959 50009960 94 17606099703469666250 5104073 3 18269551638087206328 513202 73 17967533442126492253 58902169 19 10737279164949078872 9555976 147 17631176264847264187 > 677.35 22.57 4.87 1.57 28.74 2.63 0.01 14.82 9.58 -6.33 0.62 -1.21 -0.32 -1 > 1407.634 > 389.1 > 2 5 10 $$$$