HMDB0255903 RDKit 3D Octanamide 27 26 0 0 0 0 0 0 0 0999 V2000 -4.2721 -0.0059 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 -0.0600 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -1.2803 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -1.3036 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -0.0880 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 -0.2974 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 0.8369 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 0.5544 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 1.4843 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -0.4902 -0.8076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7879 -0.6363 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5896 1.0335 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -0.3568 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 0.8873 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 -0.1617 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 -1.3552 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -2.1614 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -2.2327 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -1.3590 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 0.8460 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 0.0027 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4751 -0.3343 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -1.2634 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 1.7485 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3549 1.0576 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 2.2669 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4342 1.4574 0.9113 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 9 27 1 0 M END