56840687 -OEChem-04192404243D 52 55 0 0 0 0 0 0 0999 V2000 1.6479 2.0366 1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -1.2805 0.5755 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2391 0.4571 1.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 -0.7325 -0.7481 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -2.0940 0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.8668 -0.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -1.0458 -1.5386 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -0.4691 0.8802 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6206 -0.5753 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 -2.0484 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 -0.7778 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 -2.2496 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 -0.5430 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3502 -2.2852 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -0.2239 -1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7898 -2.1971 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 1.1015 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -0.8675 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 0.1515 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 1.8200 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 0.2881 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -1.7551 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 2.0415 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3881 2.5235 -1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7782 -0.6031 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 -1.6237 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 2.9665 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 3.4485 -1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 3.6700 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 -1.2856 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7707 0.4333 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 -2.1420 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 -2.8541 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 -0.6810 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 0.0280 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 -1.5382 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.2587 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.4345 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 0.2769 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1998 -3.2838 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 -1.5584 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0973 -1.1691 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 -2.8129 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4587 -2.5662 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 1.0919 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -2.5595 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 1.4928 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 2.3942 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -2.3371 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 3.1367 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 4.0021 -1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 4.3908 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 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 20 1 0 0 0 0 7 15 2 0 0 0 0 7 18 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 2 2 -1 8 1 M END > 56840687 > 0.8 > 1 17 4 16 13 8 2 12 15 3 9 14 6 11 7 10 5 > 36 1 -0.57 10 0.27 11 0.27 12 0.27 13 0.33 14 0.27 15 0.45 17 0.54 18 0.18 19 0.09 2 -0.52 20 0.12 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.13 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.52 4 -0.81 45 0.15 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 -0.24 7 -0.63 8 0.91 9 0.27 > 6.2 > 10 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 cation 1 5 cation 6 18 19 21 22 25 26 rings 6 20 23 24 27 28 29 rings 6 4 5 9 10 11 12 rings 6 6 7 15 17 18 19 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 036351EF00000001 > 100.6301 > 50.859 > 10290309 65 17987800709728153086 10674148 151 14779536920835602215 10688039 33 18336835272801144525 11135609 12 18409166631769608592 11646440 116 18335713783852673883 12422481 6 17914925104955844443 12633257 1 16702027525570333323 12788726 201 18263379095086835504 13004483 165 18337115678135689785 13140716 1 17983845963849757438 13540713 4 17986682467504840870 15420108 30 17128176362259186709 20642791 268 16486700263360657769 21033648 29 17416944193960469394 21236236 1 18271237223355379372 21756936 100 13614517463580812310 22182313 1 17775010025269878372 23845131 108 17763193436647472705 3380486 145 18056743546269529621 3418910 222 18260551160863121764 350125 39 18273208725267048696 4073 2 18268989800756940306 4409770 3 18337660946099241445 469060 322 17822582616000962965 484985 159 18113613457190981267 5104073 3 18198612260570800170 56638632 10 16341705522170857768 6009941 240 18040708157189426783 6086070 43 18189600809646790031 9981440 41 17629743596558269838 > 554.29 13.27 3.8 1.6 10.51 3.16 -0.08 -10.77 6.87 -5.88 0.57 -0.31 -0.08 1.96 > 1201.225 > 302.9 > 2 5 10 $$$$