HMDB0031479 RDKit 3D 1-Heptanol 24 23 0 0 0 0 0 0 0 0999 V2000 3.1593 0.4504 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 -0.1048 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 -0.8104 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 0.1384 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 -0.5931 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 0.4287 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -0.1903 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 0.7271 -0.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -0.3153 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 1.1446 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 1.0486 -1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -0.8748 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 0.6587 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -1.0876 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 -1.7405 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 0.9445 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 0.4832 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 -1.0184 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -1.4383 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7456 0.8389 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 1.2822 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 -1.0535 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5892 -0.5252 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 1.6070 -0.1412 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 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 M END