RDKit 3D 43 45 0 0 0 0 0 0 0 0999 V2000 -4.8687 1.1291 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9028 0.0398 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 0.0282 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 1.1069 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2286 2.2010 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 2.2092 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 1.1005 -1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 -0.0225 -1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -1.0019 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -2.0765 -2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 -2.1975 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -1.2257 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 -0.1326 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 0.7811 0.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 2.1194 0.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 3.0723 1.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 2.5304 -1.2974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 1.5134 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 1.5209 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 0.7321 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.1518 1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6526 0.7222 1.8594 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -0.8912 2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -2.2371 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.7469 1.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9707 -2.6775 0.9953 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.6923 -3.0875 -3.7229 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.0903 -4.1610 -3.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -2.8099 -4.6942 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4892 1.1341 2.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -0.8060 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 -0.8338 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 3.0523 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 3.0571 2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 1.0488 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 2.0570 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -0.9281 -3.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 -3.0307 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 -1.3503 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 1.9981 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 0.5157 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -0.5806 2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 -1.0244 3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 10 27 1 0 27 28 2 0 27 29 1 0 6 1 1 0 13 8 1 0 22 18 1 0 1 30 1 0 2 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 M CHG 3 26 -1 27 1 29 -1 M END