2303 -OEChem-03282409533D 40 41 0 1 0 0 0 0 0999 V2000 3.7532 0.1953 -1.3732 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -0.7801 -2.0452 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.3321 -1.5288 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 2.9285 -1.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 2.9038 1.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.5607 -2.2472 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0237 -3.2915 -0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 -0.3152 0.4452 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 -2.4820 -1.0126 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3837 -0.1087 -0.2819 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2371 1.0896 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -1.3645 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.3224 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 0.9365 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -1.4566 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0663 -0.2099 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 -0.6360 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 2.4103 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 2.0395 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 -2.6741 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 -0.4133 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 0.1255 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -0.8394 2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.7281 2.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 4.2210 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 0.1340 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1068 -0.3876 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -0.7290 2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 1.8023 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 2.1553 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 3.0077 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 -3.5588 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2489 -2.4813 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.9237 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -0.3316 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -1.0844 3.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6001 -0.8866 3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 4.1761 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 4.9499 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 4.5274 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > 2303 > 0.8 > 3 1 2 4 > 30 1 -0.34 10 0.42 11 -0.12 12 0.07 13 -0.14 14 -0.04 15 -0.04 16 -0.14 17 -0.15 18 0.71 19 0.14 2 -0.34 20 0.14 21 -0.15 22 1.16 23 -0.15 24 -0.15 25 0.28 27 0.4 28 0.15 3 -0.34 35 0.15 36 0.15 37 0.15 4 -0.43 5 -0.57 6 -0.52 7 -0.52 8 -0.6 9 0.84 > 5.4 > 8 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 1 8 cation 1 8 donor 6 13 16 17 21 23 24 rings 6 8 10 11 12 14 15 rings > 25 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 000008FF00000003 > 68.937 > 40.674 > 10165383 225 17771084699543804057 11578080 2 16411280491461048987 11582403 64 10829667381571895367 12423570 1 13769080279868274347 12654903 92 18128548247625925551 12716301 132 18202276996290701379 13140716 1 18412824685802051985 133893 2 17183585202853359807 13583140 156 17240780479692512409 13965767 371 18191588549310281224 14181834 199 17622129762357028005 14787075 74 17244745403972784785 14817 1 14830277054057552568 14955137 171 18051451489283350145 15852999 172 17329959444737156393 1601671 61 18339931429073489361 16752209 62 18341603850351777063 16945 1 18188768319137842297 18981168 100 17474672745721902929 20600515 1 18057020592712659545 20691752 17 18121229675631432355 22112679 90 18334006203085513665 229495 10 16950557766463184255 23419403 2 15901430297226519481 23557571 272 18129944593645249640 23559900 14 17916878911443745398 23598288 3 17896868864163048505 2748010 2 18131352981903980479 3380486 77 17834633388154234479 34934 24 18260551134006081949 350125 39 17475529278349224809 35225 105 17622957453873067314 3524813 1 17632587062413777566 5845 1 8997733344547463730 77492 1 18040431088084452586 81228 2 17984108665097246563 90316 7 18189601779259502785 > 459.23 4.73 3.89 2.22 0.28 2.36 0.37 -0.86 1.14 -2.83 -1.7 1.84 -0.47 -1.12 > 988.517 > 256.7 > 2 5 10 $$$$