HMDB0032529 RDKit 3D Thaumatin b, recombinant 55 57 0 0 0 0 0 0 0 0999 V2000 9.7420 -0.3274 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3172 -0.1649 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -0.0858 1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3055 -0.0951 -0.7664 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9355 0.0521 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3509 -0.3361 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -0.1313 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 0.4755 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.7186 0.3515 S 0 0 0 0 0 6 0 0 0 0 0 0 1.0472 2.1083 -0.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 0.6236 1.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -0.4369 -0.4068 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 0.2202 -1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 0.1360 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 -0.5661 -0.1859 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 -0.1994 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -1.4425 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7092 -1.2215 1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 0.1968 1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 0.9205 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5269 1.3283 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 0.2344 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -0.3983 0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -1.1865 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 0.8532 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.6616 -1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9835 -1.3881 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 -0.0390 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0058 0.2921 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5962 -0.1600 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 -0.8211 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -0.4533 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 1.2973 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -0.2315 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 -0.2241 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 1.2027 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.6077 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 -2.1663 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6605 -1.9321 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -1.6126 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8527 -1.8669 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 0.7949 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 0.1684 2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 1.8267 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3526 0.2743 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0436 1.5987 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 2.2529 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9979 0.5867 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 -0.6365 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.7149 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 0.6508 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 -1.3842 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 -2.1675 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 1.3323 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 0.9753 -2.3284 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 15 23 1 0 23 24 1 0 8 25 1 0 25 26 2 0 26 5 1 0 24 12 1 0 22 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 25 54 1 0 26 55 1 0 M END