RDKit 3D 22 22 0 0 0 0 0 0 0 0999 V2000 -4.1360 -0.3280 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 0.1398 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -0.2139 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 1.0253 -0.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 1.5723 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 0.5585 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.7963 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 -1.2606 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 -0.1557 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -0.0857 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 0.0882 -0.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 0.9006 0.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7546 0.5937 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5738 -0.9890 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0774 -0.8330 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 2.1770 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 2.2924 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -1.3626 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -2.2700 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -1.0427 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 0.7714 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -0.7818 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 5 17 1 0 7 18 1 0 8 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 M END