HMDB0032538 RDKit 3D Triethanolamine 25 24 0 0 0 0 0 0 0 0999 V2000 2.8031 0.0456 -0.5486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 0.9816 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.3648 1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0456 -0.1786 0.4075 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -1.3108 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -2.0059 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6665 -2.3982 0.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 0.8211 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 1.4754 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 2.4781 0.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -0.2223 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 1.3034 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 1.9134 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 1.1122 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 -0.4559 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.0806 -1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -2.0414 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 -2.8958 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6189 -1.3379 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -3.3737 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 1.6654 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 0.5492 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 0.6801 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0448 1.8158 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 2.0948 -0.5094 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 4 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 M END