60194005 -OEChem-04162419303D 70 75 0 1 0 0 0 0 0999 V2000 -7.6921 -0.5212 -1.5218 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 4.0936 -0.1525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 -0.0069 -2.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -6.1573 0.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 1.8866 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 0.5312 0.6874 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 -1.7051 -0.3893 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 0.5151 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.6531 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -0.6807 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 0.2475 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 1.0686 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 0.7585 -0.8217 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4909 -0.5049 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3677 -0.1945 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 0.4066 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 3.3222 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 -2.0727 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 3.1483 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 3.2124 1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 4.7608 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -2.6792 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 0.7327 -2.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 4.3021 1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 0.0547 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 -2.9048 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -4.0410 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 0.5922 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -4.2689 0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 -4.8300 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8033 -0.2299 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 1.9127 0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 0.2682 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 2.4110 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 1.5887 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -6.6699 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 1.3799 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 2.5842 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 -0.4744 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 1.1787 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 2.1435 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 0.9824 1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 0.8476 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3593 -1.2735 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -0.0102 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 0.9282 2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -0.6374 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 2.7317 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 -1.8536 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 3.5219 2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 2.2442 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 5.0886 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 5.5345 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1475 1.7453 -2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 0.2780 -2.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3555 3.9056 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 5.0329 2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8144 0.3993 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 -1.0419 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -2.5177 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -4.4102 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 -4.8855 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4945 -0.0074 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5109 -1.2603 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 2.5633 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 3.4391 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 1.9764 -0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 -7.7407 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -6.2190 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 -6.5745 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 63 1 0 0 0 0 4 30 1 0 0 0 0 4 36 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 27 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 29 2 0 0 0 0 26 60 1 0 0 0 0 27 30 2 0 0 0 0 27 61 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > 60194005 > 1 > 1 43 95 70 73 58 25 27 51 71 67 97 93 86 60 33 80 63 64 88 81 39 23 94 66 18 28 6 15 69 90 49 45 92 14 40 5 74 53 41 59 57 21 38 30 26 24 78 62 83 76 29 48 87 35 50 11 42 96 46 68 44 56 75 20 13 7 77 36 17 65 72 10 31 47 98 16 3 84 55 2 89 34 54 79 37 99 52 61 22 32 9 19 4 91 82 85 8 12 > 39 1 -0.19 10 -0.18 13 0.48 14 -0.33 15 0.27 16 0.27 17 0.05 19 0.58 2 -0.57 22 -0.15 23 0.28 25 0.41 26 -0.15 27 -0.15 28 -0.14 29 -0.15 3 -0.68 30 0.08 31 -0.15 32 -0.15 33 0.19 34 -0.15 35 -0.15 36 0.28 4 -0.36 49 0.27 5 -0.66 6 -0.81 60 0.15 61 0.15 62 0.15 63 0.4 64 0.15 65 0.15 66 0.15 67 0.15 7 0.03 8 0.18 9 0.3 > 8.4 > 13 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 cation 1 7 cation 1 7 donor 4 17 20 21 24 rings 5 7 10 14 18 22 rings 6 18 22 26 27 29 30 rings 6 28 31 32 33 34 35 rings 6 5 8 9 10 13 14 rings 6 6 8 11 12 15 16 rings > 36 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 03967CD500000001 > 99.3694 > 66.147 > 10074138 170 17764569303197073992 10411042 1 17759525460834568979 10622 236 18199448997715668367 10675989 125 18341900670840773217 10693767 8 18056773039425414510 11093857 51 17969812784985075148 11135609 149 18118385268951701565 11136131 41 18410283692728714809 11331351 85 17330564142099710027 11720765 8 18048869698410171761 12440610 7 18052267477250632004 13140716 1 18338519746105785434 13540713 4 17768271333652777324 13692114 37 18191305077295129587 13955234 65 18338241470499707731 14068700 675 17839176312644553211 14415360 78 18336267959003176428 14675020 138 18411975888352463888 14910700 183 18336535050514233850 15324884 4 17900012539758182522 17980427 26 18342163475493765348 18681886 176 17132119017588002045 19319366 153 18343014532338795983 20511986 3 17846210094796688013 21033648 29 18265342870125921444 21049683 118 18265038314590100522 21304303 282 17982159329744381150 22311459 1 18338234864998547402 23559900 14 18114478789884733829 23845131 108 18266175226381808074 3886686 26 18266448997268579306 4015057 19 18117285757661821483 4058900 60 18341058513616372304 4149490 64 18333450942189409931 44317340 157 18335988563544763665 5171179 24 18046901589998199133 563151 97 18267293421444382487 6058803 2 18130222658860843737 6371380 46 18339371850606222084 6695519 79 18124061128347460875 6697151 62 17830431905443031039 9658208 31 18194700378239392932 9777508 108 17978521054726828210 9896288 288 17618776304070521416 9961470 85 18270116963358100048 9981440 41 18265055919603212929 > 701.04 14.74 8.17 1.52 34.01 12.06 -0.19 -14.93 -1.42 -15.92 3.87 -1.07 -0.78 0.8 > 1527.808 > 385.4 > 2 5 10 $$$$