HMDB0256416 RDKit 3D Idronoxil 30 32 0 0 0 0 0 0 0 0999 V2000 5.9782 -0.4099 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 -0.3468 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -1.3190 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -1.2818 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -0.2710 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 -0.2629 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 0.6827 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 0.6846 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 1.6524 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 1.6353 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 0.6096 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9802 0.5307 0.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 -0.3740 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -0.3468 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 -1.3425 1.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 -1.3898 1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 0.6980 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 0.6590 -0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 0.0592 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4965 -2.1200 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 -2.0908 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.5159 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 2.4636 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6627 2.4245 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3998 -0.2044 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 -1.1977 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1222 -2.3204 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 -1.2771 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 1.5211 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 1.4182 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 5 17 1 0 17 18 2 0 18 2 1 0 16 6 1 0 14 8 1 0 1 19 1 0 3 20 1 0 4 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 16 27 1 0 16 28 1 0 17 29 1 0 18 30 1 0 M END