HMDB0001943 RDKit 3D Pseudoephedrine 27 27 0 0 0 0 0 0 0 0999 V2000 -2.8217 0.4854 -1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 -0.0554 -0.6635 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 0.3935 0.6333 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2286 0.0017 1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 -0.2818 1.0001 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1797 -1.6693 0.9919 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -0.0520 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 0.9587 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 1.0979 -1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 0.2413 -1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -0.7743 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.9255 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 0.7246 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -0.2527 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 1.4472 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -1.0285 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 1.4825 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 0.8283 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 -0.3240 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8644 -0.8647 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -0.0458 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -2.0954 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 1.6347 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.9347 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1766 0.3423 -2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -1.4511 -0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -1.7523 0.7945 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 6 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 1 6 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 M END