RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -3.5389 1.9530 3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 2.1494 1.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 1.9442 0.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 0.6553 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 -0.3074 0.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 0.5679 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -0.4824 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.3020 -2.3572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0079 1.1801 -2.7901 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4852 1.8689 -1.9686 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 1.9773 -2.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 1.8269 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 1.1616 -4.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 2.5564 -2.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 3.3837 -0.9044 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 1.9425 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 0.8938 0.1923 N 0 0 0 0 0 2 0 0 0 0 0 0 2.1294 -0.0650 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 0.3576 0.9211 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7979 1.6444 0.4615 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -1.4813 1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 -2.3746 1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -3.6295 2.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 -3.9927 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 -3.1005 1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 -1.8431 0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 -1.1730 -3.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -1.8600 -4.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -1.7426 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 0.9268 3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 2.6123 3.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 2.1665 4.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 3.1810 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 1.4984 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -0.5748 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 1.2908 -3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 2.1588 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 1.8447 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8177 3.3238 -3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 -2.0848 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 -4.3199 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -4.9707 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4793 -3.3822 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -1.1434 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -2.5606 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -1.6467 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.0288 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 8 27 1 0 27 28 3 0 7 29 1 0 10 6 1 0 20 16 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 1 9 36 1 6 11 37 1 0 14 38 1 0 14 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 29 46 1 0 29 47 1 0 M CHG 1 17 -1 M END