1055 -OEChem-03192402343D 28 28 0 0 0 0 0 0 0999 V2000 -3.5376 0.2492 -0.3313 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 0.4141 -0.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 -1.3978 -0.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -2.7714 0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 1.1791 0.9281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -1.2521 0.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 0.5278 -1.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 1.9039 0.3323 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 -0.6568 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 0.3744 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 0.1664 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.4091 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 0.8767 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5345 -2.0270 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 1.6252 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3459 1.1973 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -0.8335 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.8674 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 -2.0145 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0649 -2.5588 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 2.4716 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 1.0200 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 2.2524 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 0.6014 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 -1.0722 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -3.6562 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 1.2903 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6061 -1.6361 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > 1055 > 0.6 > 2 12 6 9 10 13 4 11 5 7 8 3 1 > 21 1 1.51 10 -0.14 11 0.42 12 0.08 13 0.17 14 0.42 15 0.16 16 0.14 2 -0.55 21 0.15 25 0.45 26 0.4 27 0.5 28 0.5 3 -0.53 4 -0.68 5 -0.77 6 -0.77 7 -0.7 8 -0.62 9 -0.14 > 4 > 9 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 4 1 5 6 7 anion 6 8 9 10 12 13 15 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0000041F00000002 > 3.6904 > 45.708 > 11471102 20 18412542089490561165 12119455 92 17967522498032571076 12138202 97 18190186865722040306 12730499 353 18259983743915832403 13380535 76 18341054120492010238 14251717 144 18413384319697465286 14576447 43 17774430685278228061 14911166 2 18342466980122887628 16945 1 18263361399890128474 18186145 218 18335707121824952165 19422 9 17846499214534902429 200 152 17775570844407999168 20645477 70 18343016649678584383 221490 88 18411709802143672130 231179 274 17895184502475095301 23402539 116 17458334269252441356 23402655 69 18272087188782955573 23557571 272 16733277742239440287 23559900 14 18200038477687130316 23598291 2 18059011662373737125 25 1 18411703192293894480 257057 1 17324912669444381738 2748010 2 17767695219403099208 2871803 45 18265884938702444487 3060560 45 18409439293509870550 58051976 378 18411980282146250716 633830 44 18342185440051475245 81228 2 17471562704052145715 81539 233 18186515492937931398 > 292.93 7.59 2.11 0.95 4.99 1.15 -0.12 -2.31 -2.01 -1.05 0.43 0.63 -0.01 0.16 > 589.638 > 174.4 > 2 5 10 $$$$