183797 -OEChem-10201903293D 62 64 0 1 0 0 0 0 0999 V2000 1.5816 0.8038 1.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 3.7853 -1.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 -2.4065 -1.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -3.2906 0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 1.7795 -0.4769 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -1.5439 -0.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 2.7957 1.0533 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9424 -3.0837 0.6448 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4586 -2.0217 -1.3718 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6029 -1.0036 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -0.5476 -0.2389 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0720 -2.3318 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 0.0762 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 3.1465 -0.3404 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4067 -2.7821 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 -0.3780 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -1.7029 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.8644 -1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 3.3842 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 0.7345 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 3.2880 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 -1.3870 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 2.8133 1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -2.4493 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 1.5647 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 0.4629 1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 1.5058 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5661 -0.6977 1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1368 0.3452 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 -0.7566 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8778 -1.9669 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -1.1651 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -0.4411 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -3.1251 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -2.2291 -1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3872 1.0017 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 0.3234 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 3.6895 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -3.6976 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 -3.0291 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9188 -0.4850 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 0.3897 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3983 -2.0318 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 -1.5589 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 1.3944 -2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.5320 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 3.8727 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 3.9091 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -1.5013 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 -0.4136 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.5207 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 2.3923 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 2.9257 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 3.6978 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 -3.1210 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 0.4962 2.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 2.3572 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5706 -1.5250 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 0.3327 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -3.9200 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -3.1273 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 -2.9475 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 24 1 0 0 0 0 3 55 1 0 0 0 0 4 24 2 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 6 49 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 52 1 0 0 0 0 8 31 1 0 0 0 0 8 60 1 0 0 0 0 8 61 1 0 0 0 0 9 31 2 0 0 0 0 9 62 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 11 20 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 M END > 183797 > 1.2 > 1 24 2 16 23 13 11 21 4 7 9 8 25 3 22 10 18 5 19 14 17 20 15 6 12 > 34 1 -0.57 11 0.33 14 0.28 18 0.22 2 -0.57 20 0.57 21 0.58 22 0.33 23 0.44 24 0.66 25 -0.14 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.65 30 0.09 31 0.41 4 -0.57 49 0.36 5 -0.51 52 0.37 55 0.5 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.9 60 0.4 61 0.4 62 0.4 7 -0.73 8 -0.85 9 -0.85 > 13 > 14 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 6 donor 1 7 donor 1 8 donor 1 9 donor 3 3 4 24 anion 3 8 9 31 cation 4 5 14 18 19 rings 6 10 12 13 15 16 17 rings 6 25 26 27 28 29 30 rings > 31 > 2 > 0 > 0 > 0 > 0 > 1 > 2 > 0002CDF500000001 > 58.7689 > 71.147 > 11552529 35 18125439709691165736 12166972 35 18337102471122038167 12422481 6 18057605357216894894 13009979 54 18342748407084766337 13782708 43 18128539250751232286 14114211 68 17538020438341357549 14117953 113 18340489955215806045 144659 178 18338238296672479958 15484559 13 13524404084644591175 18336668 15 18335979848043244212 19319366 153 17618234239651854677 20775530 9 18408597063788094195 23559900 14 18337100259509195371 3680242 22 18269287922937323683 4280585 95 18187358788460755672 463206 1 18197781209857298811 469060 322 18041841693268624444 513202 73 18118406133993093610 550186 7 15051460332260555794 57527585 103 17898606170388081027 > 589.58 12.16 4.86 1.51 7.86 2 -0.07 -10.88 2.03 -1.47 -1.25 -0.75 0.59 -1.64 > 1229.839 > 332.5 > 2 5 10 $$$$