HMDB0014343 RDKit 3D Oseltamivir 50 50 0 0 0 0 0 0 0 0999 V2000 4.5006 3.7687 -2.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 2.7383 -3.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 2.0373 -2.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 1.2894 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 1.1975 -0.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 0.6076 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 0.6606 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -0.0938 0.1709 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3374 0.0635 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 0.5851 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -0.3497 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1347 -0.6436 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 1.9124 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 2.5851 1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -1.5247 0.1507 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3124 -2.4055 0.9588 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -3.4709 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -4.4108 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9528 -3.6732 -0.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 -1.5759 0.5470 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7362 -2.2543 -0.4618 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 -0.2156 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5036 3.3471 -2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 4.0046 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 4.6835 -2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.2762 -3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 2.0549 -3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 1.2467 -1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 0.2771 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 0.8664 1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 -1.3028 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 0.0199 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -0.0339 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4734 -1.7153 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7205 -0.3924 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 1.7490 -0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 2.5538 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 2.8260 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3787 1.8917 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 3.5060 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.8584 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -2.2306 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 -3.9963 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 -5.4027 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -4.6600 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -2.1042 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 -2.1564 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -3.2269 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 0.2745 1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.3246 0.7599 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 20 1 0 20 21 1 0 20 22 1 0 22 6 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 7 28 1 0 8 29 1 1 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 6 16 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 20 46 1 1 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 M END