HMDB0032063 RDKit 3D 4-tert-Butylphenol 25 25 0 0 0 0 0 0 0 0999 V2000 -2.0514 1.0591 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -0.1728 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 -1.1559 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 -0.7873 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 0.1368 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 1.3994 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9386 1.6129 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 0.5446 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 0.7420 0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3101 -0.7555 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -0.9315 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 0.6859 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 1.7297 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 1.5698 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.0443 -2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 -2.2011 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 -0.9321 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -1.4087 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 0.0054 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -1.3964 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 2.2264 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 2.6084 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 -0.0245 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -1.5674 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 -1.9430 -0.0624 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 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 M END