HMDB0244930 RDKit 3D Arginine chloromethyl ketone 28 27 0 0 0 0 0 0 0 0999 V2000 -4.7058 0.9864 0.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 0.2210 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -1.1690 0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 0.8540 0.6635 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 0.1654 1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 0.4962 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -0.1717 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 0.2431 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.2861 -1.9213 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -0.3741 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -1.3314 -1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 0.1299 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 1.5245 1.4042 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1494 0.7700 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 1.7400 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -1.8792 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 -1.5039 1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 0.5130 2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 -0.9278 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 1.5801 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.0778 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 0.1280 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -1.2867 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 1.3250 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 -0.2591 -2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -1.2725 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2316 0.3602 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3905 -0.6531 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 12 28 1 0 M END