HMDB0015165 RDKit 3D Ethinamate 25 25 0 0 0 0 0 0 0 0999 V2000 -0.6416 -2.2401 1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -1.3950 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -0.3624 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -0.5316 0.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 0.2107 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 0.0036 -0.4266 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 1.1451 -1.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.9729 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.9914 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.9062 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 -0.3729 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.5943 -1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 -2.9823 2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6922 0.7452 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -0.8993 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 1.0728 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 1.8262 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 1.9370 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 0.0870 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2613 0.8687 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 1.8140 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 -1.2037 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.3522 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 0.0249 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -1.6718 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 3 1 0 1 13 1 0 6 14 1 0 6 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 M END