50919370 -OEChem-04232407093D 73 79 0 0 0 0 0 0 0999 V2000 -6.4252 -4.6837 -0.7718 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -1.8055 -2.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 -3.1836 -0.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 -2.1583 0.8901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 3.5600 0.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 0.7360 -1.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8229 -0.3223 -0.2547 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 0.7588 -0.2345 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6504 -0.0872 0.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6442 -0.3932 1.8218 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 0.2072 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -1.0546 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -0.7887 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 1.2786 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1189 -0.6359 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 1.5325 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 -0.3703 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 0.2748 1.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -1.6259 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 0.6878 0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 -2.0644 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -1.0598 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -0.4545 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -0.9986 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 0.9503 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 -0.2194 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 2.1133 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 -1.2869 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 0.7527 1.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 3.3829 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 1.9644 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1251 -1.3353 1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 -2.2877 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 0.6204 2.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 4.5039 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 3.0853 -1.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 4.3551 -1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -2.3959 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 -3.3373 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 -3.3910 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 4.8978 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6336 0.2783 -3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6837 0.4190 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2154 -1.7680 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 2.2214 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1264 -1.0527 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8137 2.2435 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 2.0044 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 -1.2975 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 0.3347 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 0.7000 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 0.0908 2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 -1.8018 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 -2.5976 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 0.5194 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8381 1.3991 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 0.5716 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -2.6257 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -1.9164 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 1.5857 2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 -2.2759 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 1.3477 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 5.5213 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 2.9774 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 5.2270 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 -2.4475 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 -4.0984 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 5.5179 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 5.3389 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 4.8512 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 0.9518 -3.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 0.1971 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 -0.7127 -3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 21 1 0 0 0 0 2 58 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 30 1 0 0 0 0 5 41 1 0 0 0 0 6 31 1 0 0 0 0 6 42 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 57 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 32 2 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 44 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 2 0 0 0 0 29 60 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 32 38 1 0 0 0 0 33 39 2 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 38 40 2 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 39 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 M END > 50919370 > 1.2 > 1 6 16 12 3 9 7 5 14 10 13 4 17 15 2 11 8 > 43 1 -0.18 10 -0.62 13 0.36 2 -0.65 21 0.66 22 0.72 23 0.14 24 -0.3 25 0.13 26 -0.02 27 0.05 29 -0.15 3 -0.57 30 0.08 31 0.08 32 0.31 33 -0.15 34 0.16 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.57 40 0.18 41 0.28 42 0.28 5 -0.36 57 0.37 58 0.5 59 0.15 6 -0.36 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 67 0.15 7 -0.73 8 -0.57 9 0.33 > 9.2 > 17 1 10 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 donor 3 2 3 21 anion 3 8 9 25 cation 5 8 9 23 24 25 rings 6 10 26 28 29 32 34 rings 6 11 12 13 14 16 18 rings 6 11 12 13 15 17 19 rings 6 11 14 15 16 17 20 rings 6 12 14 15 18 19 20 rings 6 27 30 31 35 36 37 rings 6 28 32 33 38 39 40 rings > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0308F7CA00000001 > 165.0127 > 98.843 > 10076449 9 18186235144234189127 10290309 65 18194689163721404955 10816530 145 18411991260530884049 12107698 1 18260551147650275336 12166972 35 17748831834697531388 12633046 712 17774717541896842794 12788726 201 18186513298426149059 13782708 43 18341335501127770026 14068700 675 18114179786998600893 14118638 360 17458345230768486538 14347332 77 18333730238636330572 14394314 77 18409171013321767219 14856354 85 17489599965094596259 14932701 244 18333728022322390775 15064981 194 18266189344019276156 15361156 5 18188791499250425146 16087824 20 18334853863545551533 16114785 44 17822575985367913433 17686467 74 18267020751219129314 18608769 82 18411984650576416240 2132832 1 17822299014962901796 24771293 8 18270405026345014456 27425 322 17548131135265450165 2747138 104 18040730194107525362 3504750 166 18335415704152497498 376196 1 16886662710981149725 4409770 3 18262233297520085941 4516262 110 9366531179177743187 497634 4 18130797745643010987 5080951 261 18130209506780141607 5171179 24 18338789148051220761 57527295 17 17096623532087650187 5969126 39 18261106400826967615 6086070 43 16950827143197543148 6700243 42 18055946279742665844 9555976 147 18120633766125330378 > 816.94 17.99 5.49 1.95 19.85 4.19 -0.51 -13.29 1.92 -9.33 -1.34 -1.17 0.5 1.2 > 1834.849 > 431.9 > 2 5 10 $$$$