HMDB0001564 RDKit 3D CDP-ethanolamine 48 49 0 0 0 0 0 0 0 0999 V2000 8.2504 0.2120 0.0504 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 0.6855 1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.8822 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5604 -0.3420 0.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -0.1439 0.4785 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6228 0.6928 -0.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -1.6928 0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 0.4838 1.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 1.2395 1.4687 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2605 2.0146 2.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 2.3450 0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 0.0746 1.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1939 -0.0055 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.1147 -0.2953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9630 -0.8350 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.1604 -0.2839 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2834 -0.5333 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3091 0.6375 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4951 1.2007 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7054 0.5788 1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9442 1.1245 1.4783 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -0.5879 0.3789 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -1.1230 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -2.2323 -0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 -0.5767 -1.6450 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5170 -0.9988 -2.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 -1.1463 -1.7461 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3723 -2.4740 -2.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9325 0.7387 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0819 -0.8321 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0768 1.6408 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -0.0613 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 1.1795 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9054 1.6319 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 -2.4020 0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 2.9159 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 0.9313 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -0.1947 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.0693 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 -2.2356 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 1.1138 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 2.1407 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5735 0.5089 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2803 2.0900 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 0.5149 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 -1.1769 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 -0.5309 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -3.1083 -1.5465 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 2 0 5 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 16 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 14 1 0 23 17 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 7 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 14 39 1 1 16 40 1 6 18 41 1 0 19 42 1 0 21 43 1 0 21 44 1 0 25 45 1 1 26 46 1 0 27 47 1 6 28 48 1 0 M END