70366032 -OEChem-04192404243D 51 53 0 1 0 0 0 0 0999 V2000 0.6629 -0.3933 -0.6577 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 1.9560 -0.2294 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -0.0425 1.1668 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -2.0517 -1.2486 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 2.3064 -0.5636 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 2.3149 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 2.9090 -1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 3.8350 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 4.2257 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.5741 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 -0.3875 0.4819 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9199 -1.8306 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 -0.0726 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.3405 2.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -2.8324 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 0.3153 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 0.2271 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 -4.1457 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 -3.3408 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -4.4134 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 1.2040 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -0.8547 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 1.0993 -0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 -0.9596 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 0.0173 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 1.9930 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 1.9023 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 2.9582 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 2.6639 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0959 4.1890 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 4.2758 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 4.8703 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 4.7732 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 0.4798 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 0.2993 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 -0.2971 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.2039 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 0.6034 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 -0.4986 3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6294 -2.6148 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 1.3308 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -0.3614 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 -4.9593 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 -3.4958 -2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -5.4294 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -1.6263 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 1.8535 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7554 -1.8024 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -0.0646 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 2.3945 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 2.9998 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 19 2 0 0 0 0 5 21 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > 70366032 > 1.2 > 1 93 118 43 138 103 121 86 116 9 35 91 46 65 133 95 52 127 73 34 115 99 125 124 42 109 26 96 21 104 53 71 120 23 119 110 47 102 89 60 130 57 56 94 37 92 75 113 61 90 72 54 14 114 3 117 40 59 64 16 81 106 136 112 135 141 17 137 78 84 30 50 126 82 25 15 4 19 139 122 100 105 88 63 20 55 67 107 62 7 80 51 32 68 27 39 79 132 69 58 48 49 5 45 6 31 101 128 123 29 66 28 33 77 140 134 12 24 41 38 8 76 108 36 11 13 10 131 129 111 74 97 87 18 85 44 22 98 83 70 2 > 33 1 -0.57 10 0.27 11 0.44 12 0.17 13 0.57 14 0.3 15 -0.15 16 0.2 17 -0.14 18 -0.15 19 0.16 2 -0.81 20 -0.15 21 0.1 22 -0.15 23 -0.15 24 -0.15 25 -0.15 3 -0.66 4 -0.62 40 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.9 50 0.4 51 0.4 6 0.27 7 0.27 > 8 > 8 1 1 acceptor 1 2 cation 1 4 acceptor 1 5 cation 1 5 donor 5 2 6 7 8 9 rings 6 17 21 22 23 24 25 rings 6 4 12 15 18 19 20 rings > 25 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0431B35000000001 > 75.787 > 40.6 > 10165383 225 18128824049652848201 105312 117 18268995297782277588 11045515 52 17827633970066401167 11101153 10 17902234747923334508 11763715 3 17900843830699467910 12160290 23 18191556779853176883 12553582 1 17977096091562574362 12714826 92 18129945709936092626 12788726 201 18262224621121704419 13004483 165 18266735981739147567 13257819 37 18337388245550675999 133893 2 17193202158820732233 13681431 1 17328846103789025107 13690498 29 18267321978914289294 14251751 93 18408604777533870954 14251757 5 18411982485321730208 14713325 29 18335988592870881091 14955137 171 17974300017030539883 15163728 17 18052267188971221421 15230672 131 18120381961089765758 15463212 79 18334284349573365890 15664445 248 17403175292686333492 15842332 3 17823115905226736834 1813 80 17693956475806470647 18603816 31 17415538941139719518 18785283 64 17688029709011535715 20101258 96 18120386602903848824 20775438 99 17406785977714523509 21120745 212 18120950643916386245 22393880 68 18411707608464468644 22907989 373 18338223981276847031 23366157 5 17472412159042842405 23557571 272 18051666013740015000 26353 1 17761469784165406479 3057174 1 18051680054346483775 340366 18 18191311473007322294 44062 13 18412268333277138710 508706 21 18271816713386406286 531348 171 18336555945672163326 58260988 587 17763480417645636977 633830 44 17385732391985240178 6786 2 18195532489329501415 7399639 24 17768800219856914920 81228 2 18051946368394555307 > 488.69 8.7 5.69 1.53 14.56 2.03 -0.46 -3.59 1.11 -9.74 1.93 -0.32 0.24 -0.48 > 1033.537 > 273.5 > 2 5 10 $$$$