67594125 -OEChem-04242418583D 74 79 0 1 0 0 0 0 0999 V2000 -2.7779 -2.1553 1.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0275 -0.5156 2.5089 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 0.5563 0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8854 1.3496 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 1.1496 0.1972 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9073 0.9417 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3539 0.8403 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5633 0.8501 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2064 1.2193 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8420 1.1561 1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 1.6509 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 -0.1068 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 0.0191 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 1.7625 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 -1.1851 0.4664 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0681 0.9899 -0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 -0.7097 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 -2.4983 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 2.9298 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.4006 -1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1785 -0.8495 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 3.3175 -2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 2.5663 -2.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 0.3185 1.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -1.3121 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -2.4526 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -3.7249 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 0.7443 1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -0.8863 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 -3.6333 -2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 -4.9058 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 0.1418 0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -4.8598 -1.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 -0.1030 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 0.4682 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8525 1.5620 -0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 -0.0948 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 2.0928 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5315 0.4360 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9645 1.5297 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8359 -0.1278 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 1.5109 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8640 1.3275 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2103 -0.2442 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 0.9830 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 -0.2266 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5898 2.2167 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9799 0.4891 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4250 0.3955 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0444 2.1243 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 2.7084 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 1.6142 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.4849 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2889 3.5224 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 0.8338 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 4.2178 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 2.8842 -2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 0.7922 2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -2.1017 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -1.5150 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 -3.7751 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 1.5443 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 -1.3949 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -3.5977 -3.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 -5.8608 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2334 -2.7282 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -5.7791 -2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.0457 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -1.1793 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 2.0112 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9328 -0.9455 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 2.9448 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1850 -0.0019 1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9552 1.9431 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 66 1 0 0 0 0 2 21 2 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 11 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 53 1 0 0 0 0 16 20 2 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 25 29 2 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 32 2 0 0 0 0 28 62 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 30 33 2 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 2 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 40 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > 67594125 > 1.2 > 1 72 92 62 25 75 38 88 19 78 64 53 52 41 87 37 47 59 39 89 56 32 95 42 67 49 33 26 90 57 13 80 60 69 35 96 27 86 24 74 71 98 29 55 2 61 81 14 94 45 76 97 73 30 66 31 68 6 43 58 46 93 4 63 85 12 65 23 77 79 51 9 82 36 15 83 50 91 34 11 22 21 84 44 17 7 18 70 54 20 5 28 8 3 10 48 16 40 > 56 1 -0.65 11 0.26 12 -0.18 13 -0.24 14 -0.15 15 0.47 17 -0.14 18 -0.14 19 -0.15 2 -0.57 20 -0.15 21 0.81 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 -0.15 31 -0.15 32 0.08 33 -0.15 34 0.42 35 -0.14 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.81 40 -0.15 5 0.05 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 0.27 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.5 67 0.15 7 0.27 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 8 0.27 > 11 > 12 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 cation 3 1 2 21 anion 5 4 6 7 9 10 rings 5 5 12 13 14 16 rings 6 14 16 19 20 22 23 rings 6 17 24 25 28 29 32 rings 6 18 26 27 30 31 33 rings 6 35 36 37 38 39 40 rings > 40 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0407678D00000001 > 121.5657 > 61.049 > 10165383 225 18343018882903257640 10190206 1 18271791459142404951 10369192 42 18340485569363522517 10906281 52 18042707043569709357 10930396 42 17240762886878759393 11621639 148 18334583464213135781 12522641 33 18202563956098872303 140371 6 18189070724471764465 14856354 85 17604160319508058730 15297060 5 18131068247284559883 15444296 121 18042689584338358011 15444296 7 18040719186386284428 16992610 120 18342465854994216372 18365409 1 18130220575733848783 18393751 57 18335138670192978830 19315958 150 18343308059373592902 20505436 4 18333724724352672906 20642791 13 18043254531725709525 21033648 29 18271798073111822763 2260408 40 18124905390727932225 24771293 8 18334581192671704521 25019877 29 18341614784879434862 4017518 198 18272936033102956630 44280117 145 18055349400391494182 57527306 92 17603300449300601453 6081469 158 12251905893053723724 6669772 16 18130792205389102086 6703917 75 18273220785070628664 > 795.61 26.01 4.45 1.93 32.89 6.79 0.42 -23.11 -9.67 -2.31 3.47 -1.53 0.01 -0.14 > 1750.744 > 427.4 > 2 5 10 $$$$