RDKit 3D 46 47 0 0 0 0 0 0 0 0999 V2000 5.5393 1.7914 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 0.4053 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 0.3650 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1169 -0.0319 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -1.1759 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -1.5943 0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.8777 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.2585 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 0.6780 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -1.3700 -0.5262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -0.7493 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 0.3878 -1.7061 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 -1.6016 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -1.4136 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 -0.6366 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1309 0.6754 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 1.4260 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5407 0.8709 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6472 -0.4345 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4954 -1.1859 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 -1.6674 1.2996 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -2.0435 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 -2.5258 1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 -0.0449 1.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 1.8167 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.5704 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 2.0561 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 -0.2984 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 0.6017 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 1.0845 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 -0.6307 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 -1.7551 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -2.4868 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 0.8394 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.5685 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -2.2051 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 -1.3935 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -2.6622 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.1331 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 2.4452 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4378 1.4564 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6256 -0.8683 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 -2.2009 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 0.6278 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 0.3268 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -0.1406 2.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 9 4 1 0 20 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 24 44 1 0 24 45 1 0 24 46 1 0 M END