HMDB0004437 RDKit 3D Diethanolamine 18 17 0 0 0 0 0 0 0 0999 V2000 2.2071 0.8766 1.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 0.2819 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 0.3378 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 -0.3547 0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1391 -0.0990 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -0.6258 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 0.0244 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.2842 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 0.9240 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 -0.7358 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 1.3640 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 -0.2405 -1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -1.3856 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -0.5429 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 1.0177 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 -0.3063 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 -1.7081 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.8881 1.0615 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 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 M END