60186999 -OEChem-04232418213D 71 76 0 1 0 0 0 0 0999 V2000 -3.7091 -0.6710 2.3977 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -1.6493 1.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7674 1.0360 -2.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 -2.7305 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 5.9250 0.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 -1.1590 0.0423 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 -1.5321 -0.9637 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.7503 2.1940 -0.5656 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -0.7403 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -1.2765 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.8018 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -1.6996 -1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 0.6913 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 0.8745 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -0.1621 -1.2057 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4360 1.9250 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 -1.3372 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 2.8585 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -1.9832 0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 0.0048 -2.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 -1.1131 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 2.3675 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 2.8218 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -2.4085 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9931 -0.5582 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 4.2071 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.2683 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 3.7135 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 4.6182 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8926 -3.3708 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 -1.6402 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3342 -1.5851 1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 -3.2176 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6858 -1.8510 1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 -3.4836 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3454 -2.8004 1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 6.8023 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 -0.6428 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -2.3110 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -1.5940 -2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 0.1390 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 -1.5349 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -2.7450 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 -0.0223 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 -1.2714 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -2.9280 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 -0.9068 -3.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 0.2536 -3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 -0.3540 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 1.6834 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 3.3189 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 2.0835 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1404 3.5521 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 -2.9107 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -2.1479 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 -0.1267 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7372 0.2505 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2826 4.8723 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 4.0486 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 -4.2221 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3281 -3.7702 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.0134 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7399 -1.2244 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 1.1308 -3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -3.7620 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2245 -1.3187 2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 -4.2236 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3978 -3.0075 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 6.8874 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 6.5188 1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 7.7979 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 64 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 29 1 0 0 0 0 5 37 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 23 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 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 28 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 30 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 31 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 M END > 60186999 > 1 > 1 21 18 55 45 48 66 52 61 60 29 39 43 22 16 34 24 28 36 50 63 47 65 27 14 62 31 17 11 51 8 44 58 26 10 41 35 13 54 46 49 25 67 57 42 37 30 40 4 6 32 2 5 9 7 64 12 56 59 20 23 33 38 19 15 3 53 > 42 1 -0.19 10 0.22 11 0.22 12 0.27 13 -0.16 14 -0.33 15 0.45 17 0.57 18 -0.15 19 0.41 2 -0.57 20 0.28 21 0.06 22 -0.15 23 0.26 26 -0.15 27 -0.14 28 -0.15 29 0.08 3 -0.68 30 0.28 31 0.28 32 0.19 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 0.28 4 -0.56 5 -0.36 50 0.15 58 0.15 59 0.15 6 -0.51 64 0.4 65 0.15 66 0.15 67 0.15 68 0.15 7 -0.81 8 0.05 9 0.16 > 8.4 > 13 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 7 cation 1 8 cation 4 6 9 10 11 rings 5 8 13 14 16 18 rings 6 16 18 22 26 28 29 rings 6 27 32 33 34 35 36 rings 6 4 21 24 25 30 31 rings 6 7 9 12 13 14 15 rings > 37 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0396617700000001 > 104.5553 > 66.153 > 10411042 1 18410856581410505942 11227688 84 18340190895926561383 11297750 10 18187637059808270509 11445158 3 18129102388896939327 11456790 92 18116174259154823779 11488393 25 18194396912423705540 12107183 9 18270135573466964747 12293681 160 17832395650110897565 12422481 6 18059863860762119322 12660671 118 18056779834179331333 12788726 201 18190201047783640758 13140716 1 18411702049822628956 13540713 4 18044072748458862013 13782708 43 17967812794693513055 14444916 359 17689156038584997556 14739800 52 17129026272247431235 14790565 3 17185318085178051205 14849402 71 18123762107885629896 14955137 171 18412266142173755302 15064981 194 18192445069648923820 15200665 1 18052819139481106409 15347590 135 18262226816588426146 16114785 44 17838338471598605497 17980427 26 17622725735850115956 20101258 96 18411415085782391681 20642791 268 17987539107469941003 21639891 77 18334572408772163141 21927370 108 18341899575839941906 23845131 108 17401495844810349328 244849 19 17897987261484809167 283562 15 17692524520978543813 3418910 222 18408610250140020260 3552219 110 18114480997829974004 437815 12 18335421287984560867 469060 322 18340504273940705330 5171179 24 18264199374401841353 58083652 198 18338508737693259594 5912855 24 18117557319485131154 6673363 416 18340497712554633132 6679774 75 16606601641255966674 86090 222 17241887790474561907 9896288 288 18122909716313773522 > 715.75 13.61 7.49 1.74 8.73 15.88 -0.5 -22.91 4.28 1.62 2.4 -2.07 -0.34 2.21 > 1568.066 > 392 > 2 5 10 $$$$