HMDB0249520 RDKit 3D L-Proline, 1-(N-((3-((propylamino)carbonyl)oxiranyl)carbonyl)-L-isoleucyl)-, ... 56 57 0 0 0 0 0 0 0 0999 V2000 6.2888 -2.1840 -1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4924 -1.6307 -0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -0.1306 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 0.4205 0.1829 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 1.7908 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7272 2.5491 -0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5056 2.3330 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.4397 2.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 1.8879 1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 0.8768 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 0.0909 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.7295 1.4491 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 -0.2971 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 0.3733 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 1.5529 0.4684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6349 -0.0982 -1.0713 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -1.3269 -1.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8929 -1.8233 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 -0.5565 -1.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7324 0.5793 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 1.1037 -3.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 1.0515 -3.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 1.7137 -3.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -1.2580 1.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 -2.3989 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -0.6916 3.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 0.1612 3.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -1.8718 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 -1.7452 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 -3.2828 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 -2.0989 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 -1.9059 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 0.3252 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 0.0386 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -0.2264 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 3.4258 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 2.6061 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 1.3385 2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -0.8265 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -1.1133 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -2.0593 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0192 -2.3518 -2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 -2.5072 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 -0.5006 -2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3361 -0.5664 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1437 1.3884 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3354 1.4857 -3.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 -1.7958 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -3.1173 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 -1.9827 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 -2.9113 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 -0.1126 3.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -1.5335 3.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 1.2256 3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -0.0448 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 0.0291 4.0200 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 9 7 1 0 20 16 1 0 1 28 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 4 35 1 0 7 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 27 55 1 0 27 56 1 0 M END