5362417 -OEChem-04252409013D 78 81 0 1 0 0 0 0 0999 V2000 0.8476 -2.0968 1.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 2.6917 -0.4209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 0.1716 0.4676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9315 0.4130 -1.8573 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 1.1520 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8831 1.6361 -1.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 5.0459 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -1.7767 0.4757 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -2.2198 -0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -3.4242 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.5967 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 -0.9231 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 -4.4539 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -4.1190 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4245 -2.0355 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 0.2764 -0.6862 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6909 -1.5396 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.0573 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -2.0599 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 0.2802 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 0.8050 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -1.1890 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 1.6072 -1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 0.3084 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4826 1.0953 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 3.9375 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 0.1895 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -0.9541 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0275 0.2642 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 -1.0074 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3165 -2.0931 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5084 0.0527 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 -1.3557 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 5.0510 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9386 1.4114 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 1.4542 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 6.0585 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -3.8857 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -3.1597 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -2.2668 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -2.2323 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -0.7098 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 -1.0452 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -4.3344 -2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -5.4812 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -4.5297 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -4.5118 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4535 0.2388 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -2.1052 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -1.7307 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 0.3219 2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 0.0517 2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 -2.0866 2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 -3.0902 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 0.3945 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 0.8272 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 1.8408 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 -1.5587 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 -1.2934 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 1.5968 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 1.7557 -2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 4.0788 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 3.9450 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2631 1.6808 -0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -1.9602 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 -2.8203 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4073 -2.5878 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 0.0708 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 0.7881 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5070 -1.8893 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6765 -1.2727 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 2.3354 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 6.0176 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 4.8859 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8566 2.3980 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 5.8954 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 7.0480 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 6.0106 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 24 2 0 0 0 0 5 25 1 0 0 0 0 5 64 1 0 0 0 0 6 25 2 0 0 0 0 7 34 1 0 0 0 0 7 37 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 26 34 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 30 2 0 0 0 0 27 35 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 36 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 2 0 0 0 0 35 72 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 M END > 5362417 > 1.4 > 1 9 25 53 31 18 72 26 70 45 42 40 20 51 11 38 23 59 35 52 32 58 71 37 21 19 16 74 30 73 56 39 17 7 66 15 22 65 44 62 10 75 5 46 50 60 33 43 67 6 69 68 3 48 24 54 55 27 64 13 34 12 2 28 61 57 14 49 36 4 47 41 8 63 29 > 32 1 -0.57 15 0.57 16 0.06 17 0.3 2 -0.56 20 0.06 23 0.28 24 0.66 25 0.66 26 0.28 27 0.08 28 -0.14 29 -0.14 3 -0.23 30 -0.15 31 0.14 32 0.14 34 0.28 35 -0.15 36 -0.15 37 0.28 4 -0.57 5 -0.65 50 0.37 6 -0.57 64 0.5 65 0.15 7 -0.56 72 0.15 75 0.15 8 -0.73 9 0.06 > 16.8 > 12 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 donor 3 5 6 25 anion 5 28 29 31 32 33 rings 5 9 10 11 13 14 rings 6 17 18 19 20 21 22 rings 6 27 28 29 30 35 36 rings > 37 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 0051D2F100000001 > 90.4857 > 61.043 > 10006869 2 18261662689217989482 10165383 225 18201718462339165698 1100329 8 18193840563834686734 11578080 2 17624136001209833048 12107698 1 17969217846711351138 14068700 686 18200031712374634645 14394314 77 18409735062312750753 1454969 45 18411696599888899623 14840074 17 18333726927185020478 14849402 71 18263368139147873089 14955137 171 18409449210531340815 15775530 1 17764027969460196279 15927050 60 17834961154093178524 15961568 22 18411139113064813273 18365409 1 17987793167691910351 18681886 176 18340483482357154067 19315092 285 16299768864370777912 19611394 137 18115321106012824395 21033648 29 17916572267342106218 21583282 1 17387987614213083012 23559900 14 18337666516940882097 24771293 8 18272092682393994401 4461854 278 18200323250888300015 5047190 48 18195246611584460001 550186 72 18410853227178548589 6004065 56 18409727387896464223 67856867 119 18337953506571236905 > 715.38 16.87 6.34 1.42 4.28 8.4 0 -1.2 -4.1 1.03 1.29 -1.25 -0.48 -1.27 > 1500.833 > 403.6 > 2 5 10 $$$$