HMDB0011624 RDKit 3D Decyl alcohol 33 32 0 0 0 0 0 0 0 0999 V2000 4.5118 0.1394 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 0.7368 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 1.0032 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 -0.2497 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 -1.2792 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.8012 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 -0.4124 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 0.0629 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 0.4432 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 0.9169 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8218 -0.1548 -1.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4691 0.3408 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 -0.9835 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 0.5341 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 0.0883 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 1.7098 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 1.7749 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 1.4092 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 -0.7105 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8048 0.0224 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 -2.2092 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.5267 -0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 0.0312 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -1.6269 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 0.4668 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -1.2443 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 -0.7511 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 0.9355 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 1.2744 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 -0.4183 0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1892 1.8080 -1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4421 1.1887 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -0.9692 -1.1113 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 M END