HMDB0028854 RDKit 3D Glycylvaline 26 25 0 0 0 0 0 0 0 0999 V2000 -2.7624 0.1764 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 0.7310 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 1.2924 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -0.4285 0.5149 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8902 -0.0618 0.1246 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -0.2131 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.6938 2.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 0.1560 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 0.6776 -0.7547 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -1.5386 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 -2.0090 -1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 -2.0796 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 0.9855 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 -0.6594 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -0.0568 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 1.4694 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 2.2798 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 1.3696 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 0.6243 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -0.8310 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 0.3318 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 -0.7398 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.8540 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 -0.0527 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 1.4069 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3307 -2.9907 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 4 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 1 5 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 12 26 1 0 M END