HMDB0304799 RDKit 3D Cys-Cys-Asp-Pro 52 52 0 0 0 0 0 0 0 0999 V2000 5.8648 0.1565 1.7981 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 0.4709 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 1.1123 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7825 2.6078 0.3013 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -0.7746 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -1.7035 -0.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 -1.0564 -0.1913 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -0.1928 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -0.3059 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -2.0440 1.9982 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -0.4970 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -0.4151 -1.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 -0.8201 0.0391 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 -1.1414 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0001 -2.0602 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3279 -2.4578 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 -3.1370 0.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 -2.0509 -1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 0.0984 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 0.7379 -1.9558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.6900 -0.4913 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 1.9697 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 2.5992 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 1.8459 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 0.4125 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4128 0.1381 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -0.1750 0.8718 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6317 0.2517 -1.3139 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 1.0016 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -0.6712 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 1.1502 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 0.3845 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5447 1.2960 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6738 3.6822 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -2.6362 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 0.8883 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 0.3179 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -0.1159 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 -2.8976 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 -1.2105 -2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 -1.6930 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -1.7593 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -3.0682 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -2.6401 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0176 1.7675 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 2.6079 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5542 2.4862 -0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 3.6650 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 1.7545 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 2.1501 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 -0.1928 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8718 -0.5259 -1.9136 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 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 2 3 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 25 21 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 6 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 18 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 28 52 1 0 M END