HMDB0240376 RDKit 3D DIBOA sulfate 24 25 0 0 0 0 0 0 0 0999 V2000 1.5115 -0.0523 -2.4654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 -0.1494 -1.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 0.0340 -0.0641 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4503 0.7989 -0.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0210 0.6886 S 0 0 0 0 0 6 0 0 0 0 0 0 3.8450 0.5153 2.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.4535 0.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 0.5060 -0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 0.7044 0.7143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 0.4287 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 0.7436 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 0.4737 1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 -0.1081 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -0.4181 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 -0.1509 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -0.4496 -1.5995 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -1.0238 -2.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 -0.9751 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 0.3918 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 1.1972 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 0.7073 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 -0.3248 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -0.8721 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -0.5441 -3.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 2 0 5 8 1 0 3 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 2 1 0 15 10 1 0 3 18 1 1 8 19 1 0 11 20 1 0 12 21 1 0 13 22 1 0 14 23 1 0 17 24 1 0 M END