23913400 -OEChem-05092401413D 55 59 0 0 0 0 0 0 0999 V2000 6.6033 4.4565 -1.3962 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -0.5012 2.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -0.1683 -1.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 -2.0769 0.2672 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -0.0162 -0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -0.7694 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -2.3589 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 -0.2211 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 -1.2224 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 -3.0144 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 -3.6729 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 -0.1190 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 1.1626 0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 -1.1145 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -4.2512 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 -4.5800 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1097 1.0980 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 1.2750 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 2.0557 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2096 -0.0552 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4192 2.4095 -1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 3.1902 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 3.3671 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 -0.4338 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 0.2855 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9252 -0.1312 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -0.4718 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 0.2475 -1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1389 0.3833 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 1.6222 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3074 -0.3005 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7601 2.1775 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2024 0.2547 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9287 1.4936 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 -2.7170 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 -3.9404 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 1.1674 1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 1.7011 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 1.7331 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 -2.0124 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8571 -5.0117 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -5.5855 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 0.5396 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9659 1.9416 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2701 2.5465 -2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 3.9370 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -0.7050 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 0.5828 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 -0.7928 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 0.5145 -2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9735 2.1865 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5253 -1.2661 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5496 3.1445 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1125 -0.2776 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6262 1.9264 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 14 2 0 0 0 0 5 20 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 35 1 0 0 0 0 11 16 2 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 19 22 2 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 34 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M END > 23913400 > 0.8 > 10 45 22 20 75 83 58 31 65 67 9 27 21 70 63 35 95 8 43 42 1 93 5 23 80 17 89 3 41 12 74 56 87 14 90 82 18 86 16 64 72 47 11 52 48 76 33 61 84 51 19 4 39 40 60 28 94 49 79 34 85 26 36 78 29 37 57 81 38 25 24 50 68 91 88 13 73 92 2 54 59 66 77 62 7 69 71 55 15 30 53 44 6 46 32 > 52 1 -0.19 10 -0.18 11 -0.11 12 0.57 13 0.18 14 0.48 15 -0.15 16 -0.15 17 0.09 18 -0.15 19 -0.15 2 -0.57 20 0.18 21 -0.15 22 -0.15 23 0.19 24 -0.15 25 -0.15 26 0.08 27 -0.15 28 -0.15 29 0.08 3 -0.17 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 0.15 36 0.15 4 0.33 40 0.06 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.63 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 6 -0.24 7 -0.2 8 -0.18 9 -0.09 > 6 > 9 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 5 4 6 7 8 9 rings 6 17 18 19 21 22 23 rings 6 20 24 25 26 27 28 rings 6 29 30 31 32 33 34 rings 6 4 7 10 11 15 16 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 016CE3B80000000A > 107.365 > 45.774 > 10411042 1 17908985405900018466 10554248 39 17773583928718866549 10673678 19 18336832000067862956 10906281 52 18410293644294338331 10952577 141 17752502112318475204 11181472 205 17916877799036880529 11411753 29 17969501502808547495 1200032 147 18335136535957749264 12539765 74 18202290182452223695 13008946 62 18046364177735737060 14294032 229 18122911103572664902 14849402 71 18410857707378123033 15183329 4 17060332999624121489 15276724 80 18341328895452342045 15392192 104 18336550503700867867 15400415 2 18272922813773867759 15419008 91 17677039163154200189 15554971 5 18059565855527008923 1577012 14 17561073697447295575 17899979 129 18411423920878123210 18393751 57 18040431105702340499 19304671 126 16916784158462466848 19315958 150 18409453579521162947 1979834 28 18186798085064952308 21130935 74 18410013196611851363 21792964 463 18271823289045114073 22149856 69 18342454816400952769 23081809 10 17703493421371268279 23522609 53 17988652874310203297 23523788 1 11892702072323433704 23576562 1 15912460529927648961 27425 322 17986952045770353164 2747138 104 17313398777753283585 3044373 193 17167583786806488452 3663271 9 18130783435629943595 394071 54 18113620083951102517 397830 11 18114471123806006291 4073 2 18409168831700498371 4093350 32 18335420157806177752 4197921 191 18130229260115354041 444735 82 18410576167528165621 45377200 153 15481818147733915471 474113 269 9006790769545844353 4760202 70 18270953644799651839 49967989 163 16414330443234652149 504579 68 17846224327879956603 5109719 28 17967816054715738813 58083652 198 18265602209816394285 68570916 9 18343013398805436359 > 670.73 26.4 4.69 1.45 55.58 2.36 -0.16 -20.92 4.54 -14 -1.12 -0.09 -0.7 -2.35 > 1497.405 > 358 > 2 5 10 $$$$