HMDB0041901 RDKit 3D Hexamethylene bisacetamide 34 33 0 0 0 0 0 0 0 0999 V2000 5.6393 1.7362 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 1.4828 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 2.2044 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 0.6239 1.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 0.2191 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 -0.4355 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -0.8415 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -1.4765 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 -1.9223 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 -0.7478 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8524 -1.2075 -0.2672 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7432 -0.3723 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 1.0251 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0385 -0.8127 0.2916 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1778 0.8681 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9186 2.6355 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 1.7662 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 2.9536 -0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -0.6082 2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.0018 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 0.2300 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -1.3340 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 0.1068 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 -1.4862 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 -0.6649 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -2.3102 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.4587 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 -2.6170 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3865 -0.0020 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -0.2834 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1267 1.1697 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5482 1.3667 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2535 1.6555 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4699 -1.4646 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 M END