67625615 -OEChem-04252408193D 78 82 0 1 0 0 0 0 0999 V2000 3.1592 -1.6378 2.6766 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -3.6262 4.0056 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 -0.7516 0.4819 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -0.4676 -1.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 3.6307 0.1067 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 4.2900 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 1.6365 -1.0119 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 2.4206 -0.9572 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 -2.8530 -1.2282 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.6337 0.2337 -0.3775 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2379 1.5884 0.1602 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5087 0.5457 -1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 2.3823 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 -1.6674 -1.7272 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2067 -0.7424 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 1.3725 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 2.6262 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -1.5401 -3.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 -1.6066 -3.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 -2.9342 -1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 -2.8433 -3.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 1.7665 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.7686 1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 -1.5999 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -4.0872 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 1.2700 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 1.2799 2.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 3.6961 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7979 1.0951 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -1.6522 2.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -2.4834 2.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 1.0749 1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2976 1.0848 3.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 -5.2699 -0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -2.5096 2.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 4.3324 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 0.9822 2.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 1.8107 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 -0.2443 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 1.1869 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 -0.8681 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0117 -0.1526 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -0.3167 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.8658 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 1.8536 1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 3.3522 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0341 -1.8277 -1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 2.0142 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 -0.6021 -3.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 -2.3469 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -1.6212 -4.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 -0.7063 -3.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -2.0925 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 -3.8147 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2987 -2.8064 -3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -3.7430 -3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 2.8301 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 1.3605 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8685 -0.1071 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1957 -1.5743 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 -4.3084 -2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -3.9890 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 1.3103 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 1.3398 2.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 -3.1375 2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8105 0.9882 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1312 1.0085 4.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -6.1156 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 -5.6159 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -5.0407 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 3.6981 -2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0563 5.3075 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 4.4676 -2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 0.8276 3.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 2.8555 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 -0.8135 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 1.7437 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 -1.9107 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 35 1 0 0 0 0 3 42 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 17 2 0 0 0 0 6 28 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 48 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 17 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 29 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 30 1 0 0 0 0 23 59 1 0 0 0 0 24 31 2 0 0 0 0 24 60 1 0 0 0 0 25 34 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 32 1 0 0 0 0 26 63 1 0 0 0 0 27 33 2 0 0 0 0 27 64 1 0 0 0 0 28 36 1 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 35 2 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 37 2 0 0 0 0 32 66 1 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 42 2 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 41 78 1 0 0 0 0 M END > 67625615 > 1.2 > 1 44 85 94 104 93 43 70 111 66 109 20 28 88 114 71 65 100 115 36 13 119 61 103 64 110 112 84 21 92 25 47 14 107 99 69 80 56 73 90 118 77 32 5 19 82 18 106 74 57 60 120 101 108 81 24 91 26 7 113 96 121 95 27 97 41 59 117 86 11 12 37 105 79 54 4 72 98 2 52 17 89 83 62 87 6 33 102 31 116 34 38 48 55 45 40 75 16 78 29 42 68 46 58 67 15 8 76 63 50 23 51 22 30 10 49 35 53 39 3 9 > 51 1 -0.18 10 0.42 11 0.44 12 0.3 13 0.06 14 0.55 15 -0.14 16 -0.14 17 0.57 2 -0.18 20 0.27 22 0.44 23 -0.15 24 -0.15 25 0.27 26 -0.15 27 -0.15 28 0.57 29 -0.14 3 -0.19 30 0.18 31 -0.15 32 -0.15 33 -0.15 35 0.18 36 0.06 37 -0.15 38 -0.15 39 -0.15 4 -0.56 40 -0.15 41 -0.15 42 0.19 48 0.37 5 -0.57 59 0.15 6 -0.57 60 0.15 63 0.15 64 0.15 65 0.15 66 0.15 67 0.15 7 -0.66 74 0.15 75 0.15 76 0.15 77 0.15 78 0.15 8 -0.73 9 -0.81 > 11.2 > 10 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 8 donor 1 9 cation 6 15 23 24 30 31 35 rings 6 16 26 27 32 33 37 rings 6 29 38 39 40 41 42 rings 6 7 10 11 12 13 17 rings 6 9 14 18 19 20 21 rings > 42 > 0 > 3 > 0 > 0 > 0 > 1 > 4 > 0407E28F00000001 > 132.1136 > 50.748 > 11578080 2 16773235231274033328 12058002 1 17401476543253922617 12156800 1 17555408986869194598 12160290 23 17845067676186713927 12422481 6 18126596490122390873 12788726 201 18196061465859691815 131258 38 16162191685570820730 140371 6 17181382923933924504 15219462 58 17315652690284508179 15361156 5 18267323082911132652 15815584 197 17681877013962895681 16114785 44 18187361073067378924 3383291 50 17983037569606448670 392239 28 17824009820611528521 469060 322 16081940397907894594 5080951 261 18059841875288755028 563151 248 18340498802447866234 59444896 2 17975104601363544605 9896288 288 17829894231736546384 > 828.26 9.24 5.74 4.09 15.54 1.19 -0.59 -2.69 -0.37 -4.57 1.23 -3.63 3.74 -3.79 > 1769.245 > 460 > 2 5 10 $$$$