5351637 -OEChem-04242409033D 45 47 0 0 0 0 0 0 0999 V2000 -0.5489 -3.9895 0.2203 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 1.8934 0.1953 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -1.7603 -0.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 -3.9722 1.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 1.8317 -1.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 -4.5260 -0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 -4.5943 0.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3839 0.8967 0.9829 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 3.2860 0.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 0.8421 -0.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 0.1610 -0.6584 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.5420 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -0.4095 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.0864 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -2.2970 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -1.8349 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 0.0197 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 1.3729 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 -1.3811 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 1.8989 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 2.3100 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.7653 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 0.0664 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 2.0022 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8239 0.6830 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 2.0880 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 2.7047 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 -1.3475 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 2.6618 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 -2.4932 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -0.7116 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9203 2.6439 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 3.3667 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 -0.6256 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7645 0.1405 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 2.6687 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 3.7335 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 -1.4301 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -1.7262 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 -2.0023 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 3.1175 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9159 3.4410 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7838 1.9397 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -3.6151 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2972 0.9379 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 18 1 0 0 0 0 3 19 2 0 0 0 0 4 44 1 0 0 0 0 5 45 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 22 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 25 35 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END > 5351637 > 0.8 > 1 4 9 6 3 2 5 10 8 7 > 38 1 1.5 10 -0.49 11 -0.46 12 0.09 13 0.03 14 0.36 16 -0.18 17 -0.15 18 -0.01 19 0.56 2 1.49 20 -0.15 21 -0.15 22 0.1 23 -0.14 24 -0.14 25 -0.15 26 -0.15 27 -0.15 28 0.14 29 0.14 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.4 35 0.15 36 0.15 37 0.15 4 -0.68 44 0.5 45 0.5 5 -0.68 6 -0.65 7 -0.65 8 -0.65 9 -0.65 > 4 > 14 1 10 acceptor 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 4 6 7 anion 4 2 5 8 9 anion 6 12 13 14 15 16 19 rings 6 12 13 17 18 20 21 rings 6 22 23 24 25 26 27 rings > 29 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0051A8D500000001 > 98.387 > 71.198 > 10 15 18259705618529037208 10290309 65 18335696083938986332 10411042 1 17473542928726180743 10493431 412 18410014338455408285 11135609 187 18335972083702637965 12107183 9 18335690612846451242 12293681 160 17846500309604156433 12788726 201 17611479909879103722 12925494 130 18126840732318659840 12977781 61 17702406072352793446 13140716 1 18335702693782742051 13402501 40 18413388739367402296 13540713 4 18200048351547795582 13583140 156 17701540843212280328 138480 1 17544757824510614807 13955234 65 18048604720598173451 14178342 30 18190459566391853766 14790565 3 18411141307825152681 14844126 61 18048313637468742674 15042514 8 18047757280068476683 15351339 4 18058725801856415657 15664445 248 17407970890477800671 15927050 60 18411418414467241175 16087824 20 18196370545583841279 16994733 274 16630531691901381113 17913733 40 18267324083358346915 19301679 30 17830466329258528546 20197701 30 18409168800822765527 20554085 129 18129924715966911321 20642791 13 18193836166237153358 21033648 29 18342169007834207368 21049683 118 18266434633816442336 21065198 57 18339642373553302244 21133410 171 17045079659507232318 21236236 1 18341893052053345871 21521721 280 18343026566916306913 21792938 79 16127240298757825851 21859007 373 17896023361370822636 22224240 67 18411422808951338969 23558518 356 17828202426321266108 23559900 14 18343586257427257244 23845131 108 18334014961057112947 23929065 36 17910656980393340266 255183 313 18197234722635342963 335352 9 18339645547528853286 4073 2 18337672040274151192 4340502 62 18411143506732156013 5104073 3 18334297556465841624 5385378 56 18265059024811962657 5969126 39 17912638309242963255 59755656 215 18189621536045338677 59755656 520 18409442600719149500 6371380 46 18339086986990187086 6669772 16 18343023246363619302 77188 2 17041760361896849079 79837 15 18335710476242195291 9658208 31 18337965553537777462 9709674 26 18270123543231991230 9981440 41 18334863801229027497 > 553.46 14.99 5.23 0.9 6.16 6.91 -0.02 -18.69 -1.95 -2.41 -1.02 -0.08 0.18 1.3 > 1186.765 > 307.2 > 2 5 10 $$$$