HMDB0257086 RDKit 3D N-(1-Carboxy-3-carboxanilidopropyl)alanylproline 53 54 0 0 0 0 0 0 0 0999 V2000 2.4320 -1.6132 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 -0.1427 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 0.2877 0.9991 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 0.0506 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.0533 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 -0.3192 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 -0.2401 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 -0.1913 1.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9686 -0.2237 -0.4354 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3086 -0.1219 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 -0.2728 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9587 -0.0870 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9167 0.2367 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6329 0.3941 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3182 0.2102 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1788 -0.9552 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -1.7725 -1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -1.0453 -2.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.4883 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 1.2256 -0.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 0.3305 0.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 -0.4219 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3422 -1.0249 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6608 0.2539 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 1.0248 -0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 2.4348 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 2.8394 0.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 3.3493 -1.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -2.0876 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.8064 2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -2.0986 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 0.3313 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 0.5633 1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 1.0639 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 -0.9226 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 0.8482 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -1.3898 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 0.3196 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 -0.2903 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9052 -0.5398 2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2416 -0.1955 2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 0.3780 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4135 0.6510 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0501 0.3207 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0137 -1.9278 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.1755 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 0.2799 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -1.4734 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 -1.7407 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 0.0687 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 0.7924 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 1.0499 -1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 4.3403 -1.0333 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 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 16 1 0 16 17 2 0 16 18 1 0 2 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 15 10 1 0 25 21 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 18 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 28 53 1 0 M END