15997213 -OEChem-05102406463D 52 55 0 0 0 0 0 0 0999 V2000 -1.0707 1.7652 -2.0198 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 2.2253 -0.5887 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2322 -2.6730 -0.3238 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3145 -0.5702 -0.9491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 -0.8904 1.0775 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -2.2813 -0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 1.3443 0.3542 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -0.9246 1.0702 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6922 -1.5502 -0.4729 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4284 -0.9901 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 -0.9178 1.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -2.2557 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4819 -2.1827 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 0.3185 1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 -3.4888 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 0.2237 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -3.5507 -2.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 1.3085 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 -1.0564 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3734 0.0122 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 2.5615 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 -0.1462 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -2.2936 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 2.7268 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 3.5593 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 -1.3835 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -2.4573 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 3.9091 -1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 4.7416 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 4.9166 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4327 -1.0459 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 -0.1090 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3043 -0.0296 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 -0.9094 2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1999 -2.2354 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -3.1450 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 -3.0665 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5007 -2.1368 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 1.2184 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 0.3460 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7426 -4.3980 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 -3.4802 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -2.6091 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 -3.7986 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1153 -4.3365 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 0.7001 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -3.1391 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 3.4312 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -3.4365 0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 4.0448 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 5.5259 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 5.8371 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > 15997213 > 0.8 > 1 13 7 9 5 11 4 12 8 6 3 2 10 > 36 1 -0.19 10 0.27 11 0.27 12 0.27 13 0.27 14 0.33 15 0.27 16 0.45 18 0.54 19 0.18 2 -0.57 20 0.09 21 0.12 22 -0.15 23 -0.15 24 0.19 25 -0.15 26 0.13 27 -0.15 28 -0.15 29 -0.15 3 -0.52 30 -0.15 4 -0.52 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.81 50 0.15 51 0.15 52 0.15 6 -0.81 7 -0.24 8 -0.63 9 0.91 > 6.2 > 10 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 cation 6 19 20 22 23 26 27 rings 6 21 24 25 28 29 30 rings 6 5 6 10 11 12 13 rings 6 7 8 16 18 19 20 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00F4191D00000001 > 105.2765 > 50.859 > 10254770 206 16387890078489362010 10622 236 17700964703346787455 11045515 52 18408604786039046059 11069576 57 17193734799174881783 11101153 10 18188789326767503292 11115154 58 18409725197552684167 11331351 85 18201170909705883001 11578080 2 18059558192356444217 12160290 23 17898833674584060841 12633046 712 17272853105147227522 12788726 201 18190171296344280067 13631057 29 18409167689038048678 13690498 29 18268448857910222982 13911987 19 17538587777947112316 14068700 675 18335135401986110638 14251757 5 18265606594381911029 14556957 393 18114763589144812766 14674994 50 18341052900790292425 14790565 3 17182504997621342756 15131766 46 14856733618962281942 15775530 1 18269252617895045352 16087824 20 18192437377747975665 17539 30 18337388236586538937 1813 80 18270695271507715375 20028762 73 17691967064899964081 20775438 99 17547235325678281493 20775530 9 18334294292665288227 21344244 181 17550385138254082157 21641784 216 17968680253965043532 23598288 3 18118963585797415506 24941158 1 17690527078128649365 283562 15 18260833674593280634 3380486 145 18337120024843794521 3388396 114 17826263897428177476 350125 39 18117295678625175544 4017518 198 16827820107931307227 437795 70 17970321851043763335 4409770 3 18194118521750458253 46194498 28 16881043532242461775 463206 1 18263933304840559522 469060 322 15792881922006889177 59025328 239 17840555379482353125 5969126 39 18409449176730914550 6004065 56 17977660140963540480 6677587 24 16392616342584696639 70251023 43 18409730690119744554 > 567.6 10.95 6.4 1.5 6.74 7.93 -0.21 -18.17 -3.59 -5.37 -1.44 -1.74 -0.14 -0.95 > 1232.621 > 310.9 > 2 5 10 $$$$