RDKit 3D 47 51 0 0 0 0 0 0 0 0999 V2000 -0.5098 3.9950 -1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 2.8107 -1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 1.5863 -1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 1.5283 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 2.7336 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 3.9538 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 0.2411 0.6183 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5999 -0.1027 1.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 0.3245 2.8503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7282 -1.0093 1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 -0.6900 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 0.4910 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 0.3940 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4798 -0.8666 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 -2.0091 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -1.9621 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -2.9037 1.4736 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6836 -2.4207 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -1.2085 -0.4268 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 -0.5658 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 0.0646 -2.4535 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 0.3590 -2.8462 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 -0.1707 -1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -0.1524 -2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -0.7303 -0.9404 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 -1.5335 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 -1.1457 0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 -1.1251 1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 4.9447 -1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 2.8397 -2.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 0.6791 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 2.7427 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 4.8724 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 0.4025 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 1.4482 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2591 1.2731 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4667 -0.8486 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 -2.9281 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -3.8356 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -3.0333 1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 -2.4909 2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 0.8079 -3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8449 -2.5945 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 -1.9302 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -0.1912 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 -0.1521 1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -1.8915 2.3031 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 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 7 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 18 10 1 0 16 11 1 0 25 20 1 0 28 26 1 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 1 12 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 22 42 1 0 26 43 1 0 27 44 1 0 27 45 1 0 28 46 1 0 28 47 1 0 M CHG 1 17 1 M END