RDKit 3D 29 31 0 0 0 0 0 0 0 0999 V2000 -5.6244 0.5838 -1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -0.1509 -0.9222 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4909 -0.1339 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 -0.9852 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4699 -1.4649 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -0.9574 -0.0413 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 -1.3058 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 -0.7607 0.3048 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -1.2004 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.0967 2.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -2.3807 2.1317 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.6974 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 0.7113 1.5807 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 1.0821 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 0.2977 -0.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 0.8069 -0.4656 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 1.9508 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 2.4870 1.2349 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0128 2.6561 -0.1227 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3148 1.2377 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1735 -0.1325 -2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 1.1806 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 0.4624 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 -2.1590 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.5794 2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 -0.3860 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -1.5039 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3254 3.2957 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 2.1427 -0.5676 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 4 5 1 0 5 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 6 2 1 0 11 7 1 0 18 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 5 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 19 28 1 0 19 29 1 0 M END