56962304 -OEChem-03282405193D 42 44 0 0 0 0 0 0 0999 V2000 1.7451 2.6303 1.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1145 -1.8401 0.3495 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9080 0.0029 1.5242 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6402 0.2662 -0.8574 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1454 -0.5242 0.3496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -0.0583 -1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 1.9500 -0.1272 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 -0.8361 0.7095 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0452 0.7731 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 -0.0329 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -0.2259 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7394 -1.0326 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 1.2219 -1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0208 -1.4784 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 1.0474 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -0.9299 2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 -0.2747 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.6465 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 1.8188 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -1.3819 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 0.4660 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 -0.6434 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 -1.5648 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 1.7407 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 0.9274 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 -0.4752 -2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3783 0.8849 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 0.2425 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 -1.1420 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2286 -2.0006 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6256 -1.1907 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 1.0013 -2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 2.2577 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9024 -1.6631 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 -2.4452 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7243 -0.9475 3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 0.0922 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3255 -1.5510 2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -0.7278 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -2.1080 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7926 1.1926 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 -2.4392 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 39 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 2 2 -1 8 1 M END > 56962304 > 0.8 > 2 13 19 22 20 12 23 21 18 11 10 17 6 9 14 8 15 16 5 1 7 4 3 > 26 1 -0.57 10 0.27 11 0.27 12 0.27 13 0.33 14 0.27 15 0.44 17 0.1 18 0.09 19 0.69 2 -0.52 20 -0.15 21 -0.15 22 0.13 23 -0.15 3 -0.52 39 0.4 4 -0.81 40 0.15 41 0.15 42 0.15 5 -0.81 6 -0.55 7 -0.66 8 0.91 9 0.27 > 5.2 > 11 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 cation 1 5 cation 1 6 donor 1 7 donor 6 17 18 20 21 22 23 rings 6 4 5 9 10 11 12 rings 6 6 7 15 17 18 19 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 10 > 03652D0000000002 > 63.501 > 55.963 > 10498660 4 10303815359147460903 10693767 8 13696131991518676992 11545043 162 18040428893825714653 11796584 16 17531798044035818539 12035758 1 18340758321672858330 12236239 1 16128369389661747382 12403259 118 16200436909923010193 12596602 18 16271926025535761391 12633257 1 18130506426638245847 12778500 126 14404914548793043678 12892183 10 17489035846751521893 13103583 49 17703790340549072247 13402501 40 18041002847290559619 13685833 64 17967538990865230435 13955234 65 18117561940590450668 14123256 34 18187652387913793570 14251751 18 17676488349834123883 14341114 176 17489315165517584471 14341114 328 17203052984284027829 14739800 52 15408620397927623280 14849402 71 17345179203112686952 15209294 21 15985094206973615780 15238133 3 16128662984730257865 15475509 8 16629980918581682752 15475509 84 17632306635688903201 16752209 62 16008741434012721001 17980427 23 15841827867808237353 1813 80 18409739438852296772 18681886 176 15936410073957775284 18785283 64 18268986656487932424 190975 80 18336264647198008850 193927 3 18186527592061050319 200 152 14634871903461812228 20028762 73 17917419990744039199 20281389 69 12751233714119587654 20621476 21 17385733529962033819 20642791 268 16917064481717911428 21054139 6 15285354020419720368 21267235 1 18201996587631437750 21521239 73 13839984417568342416 21623969 137 18410575089143065366 21637258 2 17240479217057397626 221357 26 11963384163501079295 22393880 68 14056998347462553367 231179 274 10879991371755703572 23402539 116 13407078046713138742 23559900 14 17022899103479434045 25147074 1 17415825036688603660 2838139 119 11311766255226100874 2916195 48 12391509793637362695 3004659 81 15357695323144464943 316301 35 18042409199929561891 341906 21 14404914604632594131 3472631 163 13182735944517746451 3737641 26 17986116210374263214 439807 62 16153714241321903075 465052 167 18335140899528541942 5104073 3 17986945246821143322 5718773 13 17968659436475564763 59682541 52 11242234286678543377 636775 8 18263651672100253726 7495541 125 18187080672301224060 7808743 9 13398628346977052755 7970288 3 17240206560160587163 8863177 126 18115313405115051211 > 430.82 14.98 1.88 1.72 5.44 0.48 -0.14 -10.6 -7.12 -0.8 -0.33 1.49 -0.08 1.62 > 918.195 > 240.1 > 2 5 10 $$$$