RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -1.0731 4.6911 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 3.6706 -1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 2.8170 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 2.8737 -3.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 1.8039 -1.3579 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7738 1.0478 -0.6898 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1906 -0.3836 -0.7379 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 -0.3970 -1.1371 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7155 0.7206 -2.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -1.2531 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -1.1422 -2.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -2.1051 -3.0556 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 -2.8874 -1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -2.2939 -0.8739 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 -0.1737 -3.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 1.5377 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 0.3799 2.0543 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 -0.1782 1.3562 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8027 -1.6609 1.3050 N 0 0 0 0 0 4 0 0 0 0 0 0 1.8336 -2.0308 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -3.3563 2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -3.3934 2.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 -2.2081 3.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -0.9469 3.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 -0.8198 2.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 0.2193 2.1633 N 0 0 0 0 0 4 0 0 0 0 0 0 5.3886 -2.3553 4.3267 N 0 0 0 0 0 4 0 0 0 0 0 0 5.8797 -1.3253 4.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -3.4964 4.4640 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3975 5.3342 -2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 4.2385 -3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 5.2990 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 2.3218 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 1.1933 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8587 -1.2905 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 1.0060 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 0.2025 -3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -0.3486 -4.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 2.4247 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 1.8666 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 0.2027 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 -2.2917 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -4.2587 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 -4.3640 3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.0629 3.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 1.1728 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 1 6 34 1 6 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 6 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END