HMDB0002259 RDKit 3D Heptadecanoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -6.1451 0.0360 2.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3822 0.8296 0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4732 0.0701 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -0.8287 -0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 -0.2610 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 0.2443 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 0.7869 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -0.2303 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 0.5035 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 -0.4192 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 0.3409 -1.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 0.9032 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 -0.1288 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -1.1401 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7901 -0.5286 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 0.2189 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -0.6239 1.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 -1.8545 1.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4737 -0.0244 3.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0694 -0.4088 2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 -0.7921 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7747 0.7576 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 1.8087 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5079 1.1893 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 0.8582 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4561 -0.5427 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7772 -1.4325 -1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3364 -1.6459 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 -0.9519 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 0.5918 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 1.0749 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 -0.5223 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 1.1064 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 1.6827 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -1.0379 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 -0.7097 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 0.7584 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0666 1.3866 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -0.7985 -2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 -1.2413 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 1.1891 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -0.3538 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 1.6241 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 1.5039 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.4062 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 -0.6851 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 -1.6723 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.8894 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -1.3839 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 0.0765 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 1.1427 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 0.6162 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3967 0.4008 2.9595 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 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 19 53 1 0 M END