HMDB0259193 RDKit 3D TRIETHYLENE GLYCOL 24 23 0 0 0 0 0 0 0 0999 V2000 -3.9001 1.0078 -0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 0.6313 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 -0.5147 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 -0.1372 -0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 -1.2443 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -0.9539 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.0727 -0.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 0.2967 -0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 1.3862 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 1.1352 1.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 0.3761 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 0.3249 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 1.4821 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 -1.3949 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -0.8302 1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -1.4943 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 -2.0761 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2777 -1.8976 -0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -0.6450 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -0.6318 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 0.6358 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 2.3793 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 1.4506 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 0.6412 1.0996 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 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 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 M END