HMDB0028787 RDKit 3D Cysteinyl-Tyrosine 35 35 0 0 0 0 0 0 0 0999 V2000 4.1601 -0.6436 -0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 0.6788 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4673 1.7529 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8218 1.6694 -2.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 0.8627 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 1.9454 1.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 -0.2201 0.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -0.1041 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 -0.3866 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.2780 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 -1.4184 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -1.3230 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8553 -0.1257 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2251 -0.0786 0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.9890 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 0.9413 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.0145 1.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.7560 2.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -1.0819 2.2537 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 -0.9760 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -0.8789 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 0.7846 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 1.6851 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 2.7450 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4533 0.5851 -2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -1.1341 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.9477 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 0.2757 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 -1.4259 -0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 -2.4033 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 -2.2178 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -0.2049 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6178 1.9628 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 1.8122 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 -1.9664 2.6193 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 8 17 1 0 17 18 2 0 17 19 1 0 16 10 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 19 35 1 0 M END