HMDB0032323 RDKit 3D Hexylamine 22 21 0 0 0 0 0 0 0 0999 V2000 -3.3867 0.3132 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 0.7346 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0065 -0.1951 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 0.1237 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 -0.8958 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7463 -0.6788 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2856 0.5859 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 1.2058 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -0.3951 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 -0.2228 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1166 0.6351 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 1.8045 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -1.2157 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.1779 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 0.0617 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 1.1395 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 -1.9179 -0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 -0.8461 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.4686 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.8346 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 1.2783 0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 0.9660 -0.4852 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 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 M END