2833926 -OEChem-05112409003D 53 56 0 0 0 0 0 0 0999 V2000 3.3689 -0.9009 -0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -1.2977 0.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 2.8621 1.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 1.4077 -0.2298 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 1.2202 0.5598 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 2.1004 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 2.1144 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 2.4025 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.4162 -1.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 3.1618 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.2310 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 0.1298 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -0.9878 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 -2.3087 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 -1.2044 0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -2.4133 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 1.7213 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -3.4669 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -3.6765 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 1.8780 1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 1.0707 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -4.7237 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -4.8283 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 1.3245 2.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -0.0954 -1.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9184 1.6463 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2046 -0.6981 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 1.0436 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -0.1287 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 1.4855 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 3.0287 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 3.0458 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 1.5156 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 1.4639 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 2.9878 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 3.0107 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 1.4772 -2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 4.1631 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2225 3.2940 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8891 1.5605 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 2.8088 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -3.4119 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -3.7843 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 -5.6206 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -5.8069 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.7962 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 1.5670 3.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 0.2392 2.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 -0.5433 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 2.5624 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 -1.6098 -2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0349 1.4879 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2893 -0.5976 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END > 2833926 > 0.8 > 1 16 2 12 13 15 3 4 10 9 11 14 5 6 7 8 > 35 1 -0.57 11 0.11 12 0.12 13 0.47 14 0.09 15 0.47 16 0.09 17 0.44 18 -0.15 19 -0.15 2 -0.57 20 0.57 21 -0.14 22 -0.15 23 -0.15 24 0.06 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 4 -0.84 42 0.15 43 0.15 44 0.15 45 0.15 49 0.15 5 -0.47 50 0.15 51 0.15 52 0.15 53 0.15 6 0.37 7 0.37 > 6.2 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 6 11 12 13 14 15 16 rings 6 14 16 18 19 22 23 rings 6 21 25 26 27 28 29 rings 6 4 6 7 8 9 10 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 002B3E0600000001 > 106.3499 > 40.619 > 11045515 52 17541663807305628198 11135609 187 18337113367638677812 11370993 70 18335695104485632052 12293681 160 18059580251292573688 12553582 1 17400095071307529498 12788726 201 17487337041336362267 13004483 165 16967164519337543379 13009979 54 17555170246838528635 13140716 1 18410008857655386019 13149001 5 17554042525907704889 133893 2 18190480267575161624 138480 1 18048593724954368310 13911987 19 18263935512728088813 14068700 675 18128806461503145250 14114211 68 18336847358591306549 14713325 29 17753335571178286051 19319366 153 18341602742244901415 20587220 17 18054823657649997425 20602899 9 18338810033991501180 20642791 105 17975971287277748944 22149856 69 18263380191564233881 22907989 373 17469883745554104542 23419403 2 17607563204678952691 23559900 14 18339068277352684859 238 59 18187939326056879350 266924 78 18119843289556819945 352729 6 18338802320467724874 394222 165 18040703805722905130 4409770 3 17977104892155739778 46194498 28 18041829607431042981 484989 97 18337398265108789410 6287921 2 18187086118235353325 6992083 37 17119736081507557473 9981440 41 18336823199157654008 > 569.24 7.81 5.64 1.73 6.85 7.88 0.78 -6.08 -3.85 -5.33 0.35 0.19 -1.53 -1.02 > 1243.675 > 306.1 > 2 5 10 $$$$