HMDB0000033 RDKit 3D Carnosine 30 30 0 0 0 0 0 0 0 0999 V2000 4.2757 0.3752 1.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 0.1898 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 0.7490 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 0.0252 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.8908 0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 0.3622 -0.9404 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 -0.3149 -0.4527 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4205 0.7649 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.2833 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 -0.1703 1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -0.5058 2.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 -0.2781 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8472 0.2057 0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -0.9250 -1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 -0.8096 -2.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 -1.6561 -1.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 -0.5653 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 0.8875 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -0.8818 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 0.7070 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 1.8302 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 0.4947 -2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 1.1188 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3029 -1.1041 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8197 1.2586 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 1.4995 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -0.2312 2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 -0.4614 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 0.4522 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -2.4092 -0.8653 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 7 14 1 0 14 15 2 0 14 16 1 0 13 9 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 6 23 1 0 7 24 1 1 8 25 1 0 8 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 16 30 1 0 M END