HMDB0258533 RDKit 3D Succinyl-trialanine-4-nitroanilide 57 57 0 0 0 0 0 0 0 0999 V2000 4.0324 0.0683 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 -0.4170 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5246 -0.4105 -0.9224 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 -1.5250 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -2.5939 -0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5216 -1.4700 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8681 -2.7481 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2642 -2.6969 1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6524 -3.5927 2.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 -1.7140 0.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 0.3064 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 0.8230 0.5045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 0.4217 -0.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 1.1031 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 2.3262 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 0.2227 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.9383 -0.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.6751 0.7432 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -0.1323 0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -0.4203 2.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8439 0.5554 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 1.7284 0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0722 -0.1199 0.7209 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 0.3917 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6332 1.7298 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9350 2.1281 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9759 1.2482 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 1.7018 -0.5929 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.2067 0.8494 -0.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5976 3.0138 -0.7720 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.6977 -0.0851 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4115 -0.4913 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.4526 -3.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 -0.1704 -3.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 1.1646 -2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 -1.4901 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1091 0.4800 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 -1.3895 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7488 -0.6171 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7567 -3.5896 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2277 -2.7796 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3389 -1.6830 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -0.0006 -1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 1.4093 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 1.9941 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0109 3.1928 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 2.5756 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 1.6442 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 -1.0730 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 -0.8545 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -1.0432 2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 0.5828 2.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -1.1038 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 2.4486 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1086 3.1893 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5022 -0.8033 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2211 -1.5686 0.4140 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 2 0 8 10 1 0 2 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 27 31 1 0 31 32 2 0 32 24 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 10 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 20 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 31 56 1 0 32 57 1 0 M CHG 2 28 1 30 -1 M END