HMDB0029010 RDKit 3D Prolyl-Alanine 27 27 0 0 0 0 0 0 0 0999 V2000 -2.6812 -1.5035 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -0.0010 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 0.2291 0.5772 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 0.6467 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 0.8389 -1.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 0.8841 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0252 -0.2573 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 -0.7548 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 0.4895 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 1.3016 -0.7969 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 0.7510 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 1.5197 1.7623 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 0.6447 0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 -1.6599 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3348 -1.8444 -0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 -2.0873 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 0.2147 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.0763 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 1.7400 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5915 0.0782 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -1.0443 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -1.5547 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -1.1135 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7882 0.2163 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 1.0347 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8718 1.3792 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0513 -0.2238 0.0503 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 2 11 1 0 11 12 2 0 11 13 1 0 10 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 13 27 1 0 M END