HMDB0014312 RDKit 3D (S)-Lipoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 1.8977 1.5825 1.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 1.2762 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 2.2204 0.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 -0.0111 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -0.9627 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -0.4533 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -1.4722 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 -1.1678 -0.2147 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7311 0.0022 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4617 1.3104 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 1.1496 -1.9827 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 -0.9870 -2.0246 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 3.2063 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.1025 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.5227 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 -1.1593 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 -1.9116 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 0.5043 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -0.2105 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -1.7184 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -2.4300 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -2.0585 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 0.0709 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 -0.1674 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 1.9259 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 1.8813 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 10 11 1 0 11 12 1 0 12 8 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 1 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 M END