50898193 -OEChem-05052420333D 54 58 0 0 0 0 0 0 0999 V2000 6.0593 -2.5236 -1.0457 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2760 -0.2148 -1.5218 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0609 -2.9664 -1.7026 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -1.5893 -2.2371 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 -1.0563 -0.6798 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7894 2.4927 1.4566 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 0.2369 0.9809 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.3528 -0.7505 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 2.1338 2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 1.5307 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 1.9582 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 1.7796 1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 0.9488 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 -0.6380 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -2.0337 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 1.1227 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1614 2.7144 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 0.5165 2.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -2.7482 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 3.3160 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 2.3859 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 0.1880 1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 1.3379 -2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 0.7817 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 -2.6704 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 3.6764 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1651 2.6860 -2.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -4.0994 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -2.1000 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -4.0218 1.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -4.7363 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -0.5406 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1936 1.7766 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7642 -0.8679 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 1.4494 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 0.1271 -0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 1.3301 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 2.9912 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6478 3.4020 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 3.7029 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 -0.2197 2.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 4.1222 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 3.1355 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 -0.7966 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 0.5821 -2.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 -2.1285 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 4.7238 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8661 2.9587 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -4.6778 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 -4.5177 2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 -5.7885 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -1.3312 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 2.8139 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 2.2359 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 36 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 20 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 15 25 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 30 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 31 1 0 0 0 0 28 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 M END > 50898193 > 1 > 1 27 96 33 93 20 75 56 40 41 21 43 81 35 45 47 34 54 89 16 60 51 87 15 64 85 79 76 31 49 32 86 14 72 12 91 53 97 3 71 77 78 84 38 7 26 39 17 42 9 37 68 25 61 95 66 24 8 10 44 22 23 55 57 88 46 62 29 65 6 4 63 67 52 83 59 5 48 2 70 58 50 19 82 28 92 11 73 90 18 74 94 80 30 69 13 36 > 48 1 -0.18 10 0.41 12 -0.14 13 0.31 14 0.62 17 -0.15 18 -0.15 19 -0.14 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 1.16 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 0.18 35 -0.15 36 0.18 39 0.4 4 -0.34 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 -0.87 7 -0.62 8 -0.62 9 0.51 > 6 > 8 1 6 donor 3 6 7 10 cation 3 7 8 14 cation 6 11 13 20 23 26 27 rings 6 12 16 17 18 21 22 rings 6 15 19 25 28 30 31 rings 6 24 32 33 34 35 36 rings 6 7 8 10 11 13 14 rings > 36 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0308A51100000001 > 119.0721 > 40.771 > 10290309 65 18338807723220637130 10391435 84 18343299297940996016 10764073 3 18127714792986805611 107951 10 18261385629567580435 11399939 17 16392984772663595539 11607047 141 16453786606977481667 117089 54 17834129910703054138 11991303 11 18333729109276190191 12788726 201 17823680053755784035 13257819 37 18261660507738333429 13690498 29 18189904286500943506 13785724 45 17613440369593334107 14040222 220 18200882897778483644 14251757 5 18412543232321081656 14747281 78 17609499315991946537 15131766 46 14923933578907743669 16067689 391 16697274144010400878 16067689 68 12390689468465458244 18603816 31 17131835369362932295 19309040 13 16805882870955387241 19958102 18 18340768127188774324 20775438 99 16408388733284078093 21133410 230 18262817236968341339 22393880 68 18261385689560388632 23559900 14 18059849615121087800 24771750 20 17832691389206637613 25019877 29 14780131683369745289 25025965 108 16915652567903234102 3298306 158 18198039440391933997 3383291 50 17846487145366090751 354706 132 17895208714197799358 4015057 19 17131537444714869312 4058900 60 18120933906798397377 4394409 98 17973992960806452162 4409770 3 18413111684096084083 44249763 50 18114731716478228380 44802255 64 18041283170841020613 484985 159 18201173125629634731 50009960 94 10373571735521487229 508706 21 18339633555162725287 513202 73 18189906498657371851 5265222 85 18409162186832352725 6009941 240 18408604756385803134 6898599 12 18187082875192529644 70634741 139 18341622572557416520 > 707.84 15.46 5.51 2.17 32.01 4.87 -0.13 -3.74 9.73 -8.37 -0.44 -1.41 -0.68 4.11 > 1568.371 > 379.9 > 2 5 10 $$$$