RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -5.9192 2.6104 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6324 2.0441 0.9968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 1.8044 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 2.0904 -1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 1.1894 0.2627 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9385 0.4200 -0.9296 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2688 -0.7222 -0.2744 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -0.7647 1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 0.1283 1.2835 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -1.8817 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -2.2847 -2.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -3.3656 -2.4879 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2217 -3.7233 -1.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 -2.7581 -0.3013 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7534 -1.6550 -3.2283 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 1.2703 -1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 1.9801 -0.8608 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 0.4977 -0.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3581 -0.1966 0.7232 N 0 0 0 0 0 4 0 0 0 0 0 0 2.4790 -0.3635 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -1.0382 2.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 -1.0479 2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.4193 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 0.2245 0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 0.2535 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 0.7434 -0.5855 N 0 0 0 0 0 4 0 0 0 0 0 0 6.5764 -0.4611 2.5319 N 0 0 0 0 0 4 0 0 0 0 0 0 6.8451 -1.2632 3.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 0.3078 1.9777 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8116 3.6049 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5025 1.9442 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4448 2.7209 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 1.9843 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 0.0583 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -1.7183 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8086 0.5170 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 -1.4880 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 -2.1551 -4.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 0.7056 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 2.1276 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -0.2318 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4486 -0.5499 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 -1.5151 3.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 -1.5493 3.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 0.6955 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 1.2302 -1.3222 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