70679924 -OEChem-05072407083D 89 94 0 1 0 0 0 0 0999 V2000 1.4426 -0.3065 -0.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 1.0163 -2.6278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 2.6922 -0.3967 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 1.8885 3.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 1.3258 -1.5387 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2298 -0.4117 -0.8486 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 1.2776 -1.7477 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 1.0270 0.4082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 1.9923 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 2.9490 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2662 1.4398 1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 2.3332 1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 0.8819 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5305 0.8673 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 1.9787 -0.4447 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3543 2.9273 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 1.3601 4.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 0.8331 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 2.2552 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 0.4503 -2.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 1.9450 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.7512 -2.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 1.8327 -2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6927 1.3325 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 -1.6375 -1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 0.5772 -1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4501 2.1273 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4718 -2.0781 -2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 -0.6557 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7456 0.8913 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 1.5932 -0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 1.6910 2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5572 -2.3642 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -0.3453 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6247 1.0828 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 -2.0101 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -3.4324 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7363 -1.3255 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8373 -3.0014 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5517 -2.6621 0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -4.7688 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 -3.0838 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 -5.7568 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -4.0715 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 -5.4081 1.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 3.8660 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 3.2759 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 0.5890 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 2.2285 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 3.0925 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 1.4927 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 -0.0322 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.5963 3.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 3.6249 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 1.6135 0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 3.7839 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 3.3421 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 1.0714 5.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 2.1267 4.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 0.4868 3.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 2.3123 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2287 0.6027 -3.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 -0.5939 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -0.4780 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 0.0941 -3.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 1.7801 -3.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 1.8748 -3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -1.4858 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 -2.4006 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2124 0.8829 -2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5771 2.5999 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 -2.9789 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -1.3039 -2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6249 0.4173 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 2.6679 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8134 -1.4425 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 -2.6612 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4242 1.8288 3.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4248 0.7512 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 1.5413 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -2.2918 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2922 -1.0623 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -4.0477 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 -3.4482 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 -5.0529 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 -2.0486 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 -6.7974 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 -3.7995 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -6.1771 2.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 54 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 5 61 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 6 64 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 70 1 0 0 0 0 8 31 1 0 0 0 0 8 34 1 0 0 0 0 8 80 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 22 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 24 30 2 0 0 0 0 25 28 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 27 71 1 0 0 0 0 28 33 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 34 1 0 0 0 0 29 36 2 0 0 0 0 30 35 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 32 35 2 0 0 0 0 32 78 1 0 0 0 0 33 37 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 38 2 0 0 0 0 35 79 1 0 0 0 0 36 39 1 0 0 0 0 36 81 1 0 0 0 0 37 41 2 0 0 0 0 37 42 1 0 0 0 0 38 40 1 0 0 0 0 38 82 1 0 0 0 0 39 40 2 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 41 43 1 0 0 0 0 41 85 1 0 0 0 0 42 44 2 0 0 0 0 42 86 1 0 0 0 0 43 45 2 0 0 0 0 43 87 1 0 0 0 0 44 45 1 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 M END > 70679924 > 1.6 > 16 89 167 90 181 126 204 27 85 186 40 46 60 211 140 202 169 70 43 172 79 82 173 198 99 101 135 215 50 171 128 192 74 92 177 48 7 49 52 164 120 209 76 190 185 131 80 93 175 146 39 77 210 138 28 83 166 104 151 153 205 187 180 212 42 67 25 148 88 38 184 51 106 96 145 1 20 163 107 69 78 55 214 147 170 207 143 5 112 197 84 203 11 194 144 193 34 142 97 37 125 68 66 56 87 13 136 113 133 72 59 150 6 213 141 45 32 105 127 26 156 62 174 188 18 195 86 208 58 162 63 24 102 91 103 73 161 206 183 111 158 22 199 14 100 33 132 12 47 122 124 44 121 41 117 95 189 36 176 130 54 123 71 81 94 149 10 139 65 15 115 64 182 110 191 168 157 159 19 165 53 61 200 178 9 196 137 119 75 29 154 134 152 23 109 31 3 155 8 179 129 98 4 30 108 57 114 201 35 160 17 116 118 21 2 > 60 1 -0.57 12 0.27 13 0.27 14 0.57 15 0.33 16 0.18 17 0.27 18 0.57 19 -0.18 2 -0.57 20 0.3 22 0.18 23 -0.3 24 -0.15 25 0.3 26 -0.18 27 -0.15 3 -0.9 30 -0.15 31 -0.3 32 -0.15 33 0.14 34 -0.15 35 -0.15 36 -0.15 37 -0.14 38 -0.15 39 -0.15 4 -0.81 40 -0.15 41 -0.15 42 -0.15 43 -0.15 44 -0.15 45 -0.15 5 -0.73 54 0.36 6 -0.73 61 0.37 64 0.37 67 0.15 7 0.03 70 0.27 71 0.15 74 0.15 75 0.15 78 0.15 79 0.15 8 0.03 80 0.27 81 0.15 82 0.15 83 0.15 84 0.15 85 0.15 86 0.15 87 0.15 88 0.15 89 0.15 9 0.33 > 16.2 > 17 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 1 4 cation 1 5 donor 1 6 donor 1 7 cation 1 7 donor 1 8 cation 1 8 donor 5 7 19 21 23 24 rings 5 8 26 29 31 34 rings 6 21 24 27 30 32 35 rings 6 29 34 36 38 39 40 rings 6 37 41 42 43 44 45 rings 6 4 9 10 11 12 13 rings > 45 > 1 > 0 > 0 > 0 > 0 > 1 > 4 > 04367D7400000010 > 84.7566 > 86.464 > 11007060 377 18339351990571586637 11991303 11 18187372042998824159 12128747 34 18202562903625759623 13782708 43 17822865181836466164 14020679 6 18271804584282612891 15200665 1 18341325704111559223 15684970 41 18262513818318127729 19301679 30 17907301301397965207 22223350 30 18410851101163786874 24771293 8 14979086135236397584 3383291 50 18336830771079793715 4435113 14 18271806852283977110 563151 248 18114189613683534427 5912855 24 18117572931289584988 6523845 18 18410291381574463225 > 884.45 16.74 6.05 3.08 10.06 11.35 -1.58 0.95 -1.25 -7.17 -2.19 0.91 -1.33 1.07 > 1919.444 > 481.4 > 2 5 10 $$$$