HMDB0028773 RDKit 3D Cysteinyl-Glutamine 31 30 0 0 0 0 0 0 0 0999 V2000 -4.9303 1.7811 -0.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 1.6092 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 2.5758 -0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 0.2623 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4264 0.3687 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.8980 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 -0.6674 -0.2962 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -0.8090 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 -1.1461 1.8875 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -0.5560 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 -0.7445 1.5662 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 0.8477 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 1.2087 -0.5427 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 -2.0029 -0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -2.6016 -1.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 -2.4802 -0.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 1.0398 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3984 2.6084 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 -0.0465 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 -0.4606 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 1.1921 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 0.7545 -1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -1.1873 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -0.3885 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -1.2573 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 0.0967 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -1.6268 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 1.6157 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 0.9406 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 2.5792 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -2.6078 -1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 6 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 16 31 1 0 M END