HMDB0014892 RDKit 3D Ethotoin 27 28 0 0 0 0 0 0 0 0999 V2000 -4.0377 0.4759 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 0.7203 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 0.2012 0.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 -1.1263 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 -2.0250 1.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -1.2478 0.8557 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 -0.2617 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -0.0406 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 -1.2050 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 -1.1776 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 0.0258 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5991 1.1621 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 1.1424 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.8345 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 2.0590 0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 1.1882 -1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1281 0.6275 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 -0.5867 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 0.1699 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 1.7862 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 -1.8907 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.7355 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -2.1910 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2597 -2.1052 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 0.0358 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.1178 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 2.0466 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 14 3 1 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END