10181786 -OEChem-04252412083D 49 50 0 1 0 0 0 0 0999 V2000 -5.2174 -2.0038 1.7112 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 -2.1524 2.4810 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -3.2613 0.6981 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 2.3888 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 4.7777 -0.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 3.4063 -1.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 -2.4940 -1.9332 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3567 -1.2064 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 -2.6331 1.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 1.8437 0.5579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 -1.4954 -1.2306 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2818 -2.3663 -0.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 3.6258 0.7069 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8757 2.7173 0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 2.9555 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 4.0989 2.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 0.9998 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -0.0795 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 -0.9104 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 1.2156 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 1.2481 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 -0.6620 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7144 0.4171 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 0.7310 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 0.5062 -1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9104 -2.0583 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 -1.1725 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 -0.4631 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -0.6878 -1.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0189 -3.0038 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6503 -4.2816 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 1.8163 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 3.2524 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 4.6993 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 3.2669 2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 4.7422 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 1.5846 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 5.4072 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9745 -0.2649 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 2.0612 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 0.6222 -2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 1.2658 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 0.8793 -2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -0.7715 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -1.2301 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -2.8234 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 -4.7369 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -4.9827 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -4.0679 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 38 1 0 0 0 0 6 15 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 30 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 37 1 0 0 0 0 11 22 1 0 0 0 0 12 27 1 0 0 0 0 12 30 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 22 2 0 0 0 0 19 26 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 29 2 0 0 0 0 25 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 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 M CHG 2 7 -1 11 1 M END > 10181786 > 1 > 1 89 46 114 92 9 23 93 81 129 54 120 133 144 78 38 154 62 68 141 73 71 108 103 32 145 102 150 47 100 37 124 125 111 87 59 84 58 79 139 94 50 14 2 77 82 140 49 104 107 148 75 123 101 96 128 27 127 29 91 26 130 157 20 106 146 143 7 118 12 86 51 30 67 153 69 64 41 4 112 122 53 85 113 39 119 90 22 74 151 63 45 109 95 115 98 21 132 117 48 105 136 33 11 52 55 149 156 17 6 66 8 44 135 16 65 158 35 42 138 40 88 13 15 28 76 72 83 116 57 155 31 5 134 34 25 131 61 142 121 99 137 18 43 70 97 147 152 24 60 19 126 80 110 56 36 3 10 > 40 1 -0.34 10 -0.55 11 0.91 12 -0.55 13 0.34 14 0.28 15 0.57 17 0.12 18 -0.15 19 -0.14 2 -0.34 20 0.08 21 -0.15 22 0.13 23 -0.15 24 -0.15 25 -0.15 26 1.16 27 0.12 28 -0.15 29 -0.15 3 -0.34 30 0.57 31 0.06 37 0.37 38 0.4 39 0.15 4 -0.36 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.37 5 -0.68 6 -0.57 7 -0.52 8 -0.52 9 -0.57 > 10 > 12 1 10 donor 1 12 donor 1 4 acceptor 1 5 acceptor 1 5 donor 1 6 acceptor 1 7 acceptor 1 7 anion 1 8 acceptor 1 9 acceptor 6 17 18 19 21 22 23 rings 6 20 24 25 27 28 29 rings > 31 > 1 > 0 > 0 > 0 > 0 > 1 > 4 > 009B5C9A00000001 > 94.8641 > 60.996 > 10622 236 18115309943767016690 10928967 22 18270415969731865078 11285246 1 17676778586934249338 12107183 9 18059028224195418617 12166972 35 18187083932165382958 12363563 72 18341619208975616012 12655364 74 12513715657399200614 1361 87 18041288745682703818 14429380 30 18338800018623593526 14844126 61 17772174324404816876 14866123 147 18267309729557083417 14910700 183 17912909876384522888 15510800 12 18334851727944225850 15728490 83 18118697512863754362 18393751 57 11095880480349867949 20775438 99 17834933631916605847 20775530 9 18341630225587666860 21133410 58 18198043963114505647 21302155 148 10879696685961055474 23559900 14 17895471561352337653 23569914 152 18053348108629371711 23569943 247 18411133641936777139 23572383 38 18337660975847410096 3044373 233 18118423936210192282 32027 91 18337950194697862027 345986 75 17631749260444594329 404807 14 18412542124647040695 437795 139 17895749596382075602 44062 13 18261955141703723821 463206 1 18335424525993776354 484985 159 18120944905782329240 6034566 193 8502365620730814505 613672 6 18339347613789135960 6201460 15 17413850352497436454 6431902 208 18267303141208996534 6700243 42 16806440491424028447 7808743 9 9150583809515251268 7970288 3 18341324518453088038 9831232 110 17756713293107516547 9849439 229 9151166563162214132 9980921 52 17913761993437908911 > 565.99 15.31 5.87 1.8 9.33 3.33 0.23 -23.82 -1.13 2.88 1.75 -1.3 -0.4 0.28 > 1203.521 > 315.6 > 2 5 10 $$$$