69661953 -OEChem-04262407493D 59 63 0 0 0 0 0 0 0999 V2000 -2.5948 -3.0296 -2.5095 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5069 -4.0550 -2.3672 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -4.6330 -1.0729 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 2.6040 -0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4095 2.7341 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8677 -1.5175 -0.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.3503 1.4231 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -0.1172 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 0.8555 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.9216 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 1.5818 0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -0.3593 2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 0.6241 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 -1.3147 1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 3.1562 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4951 -0.5692 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -1.0245 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -1.5223 1.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 2.3350 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -0.8143 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -1.9474 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 3.1362 -1.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 4.3739 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8396 -0.7165 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9578 -2.5623 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 -1.5937 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4356 -0.2714 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -1.3314 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 4.3340 -2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 5.5716 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 -2.2543 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2869 5.5517 -1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -3.5485 -1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 -1.8301 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -0.5078 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5615 -1.2870 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6148 -2.3228 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.3567 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 -1.1131 2.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 1.3995 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1165 -2.0712 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 -2.4718 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -2.2044 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 2.1974 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 4.4133 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1973 0.0007 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2952 -2.0101 2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 0.3145 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8124 -1.0913 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 4.3186 -3.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 6.5198 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -2.7217 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 6.4843 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 3.1196 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5670 -2.4380 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1965 -0.0882 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6312 -2.4039 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 -3.3401 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -1.8486 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 19 1 0 0 0 0 4 54 1 0 0 0 0 5 19 2 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 2 0 0 0 0 13 40 1 0 0 0 0 14 18 2 0 0 0 0 14 41 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 42 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 29 1 0 0 0 0 22 44 1 0 0 0 0 23 30 2 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 31 2 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 26 47 1 0 0 0 0 27 35 2 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 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 34 36 2 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 M END > 69661953 > 1 > 1 4 18 15 17 16 10 19 11 3 14 9 6 7 13 8 2 12 5 > 51 1 -0.34 10 -0.05 11 -0.24 12 0.4 13 -0.15 14 -0.15 15 0.05 17 -0.14 18 -0.15 19 0.81 2 -0.34 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.14 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 1.16 34 -0.15 35 -0.15 36 0.08 37 0.28 4 -0.65 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 -0.57 50 0.15 51 0.15 52 0.15 53 0.15 54 0.5 55 0.15 56 0.15 6 -0.36 7 0.05 8 -0.15 > 7 > 10 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 3 4 5 19 anion 5 7 8 9 10 11 rings 6 15 22 23 29 30 32 rings 6 17 21 24 25 28 31 rings 6 20 26 27 34 35 36 rings 6 8 9 13 14 16 18 rings > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0426F50100000001 > 114.6872 > 50.897 > 10319688 45 18411417280785025568 10622 236 17842549923519460943 10940486 97 18342178882169190105 11315621 246 18339925897002540598 11331351 85 18342181080686427009 11377469 6 18411706525716440683 11445158 3 16228621777529609467 11477941 20 18334013874625221500 12522641 68 17688020921551270052 12788726 201 17970615303745258665 13383668 90 18197800820857996742 13690498 29 18337670815897255114 13757389 114 18193841444673130845 13761468 95 17971747775088909015 13782708 43 18060420210311435402 14068700 675 18343865545701086169 14114206 34 17676200243417378616 14117953 113 18272369768251992367 14294032 229 18119814608193057016 14508225 48 18260831509634643272 14556957 393 17822307755679901958 14674994 50 18339919312712797789 15439362 3 17900828459307518229 15444296 121 18336557066495299115 15876981 60 18114474365910326524 16087824 20 18117842102204156121 16989713 51 18340486669687462182 17686467 74 18339360873023033834 19319366 153 17045133663660108431 21424621 283 8286207145512231278 21716022 299 17980479284840854559 21796203 349 17974045913473582257 23559900 14 18117003388598560449 23576562 1 18263070176287397687 24771293 8 18196367246594822848 25019877 29 17908714934022605821 3504750 166 18264479582632978938 397830 11 17703495667771254210 4280585 95 18341330071508126354 4353968 344 18262518062684656662 5080951 261 18124852613510395962 5081480 168 17605259873995447191 5969126 39 18334858286548924152 6058803 2 17912096250579506113 6700243 42 17984173416604327412 70251023 43 18191585457508061459 > 717.03 14.73 7.05 2 29.92 9.85 -0.78 -20.3 -1.38 -5.84 -5.08 -1.78 -0.46 -3.43 > 1607.447 > 383.4 > 2 5 10 $$$$