HMDB0029065 RDKit 3D Threonylleucine 36 35 0 0 0 0 0 0 0 0999 V2000 3.2278 -1.9529 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 -0.9403 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -0.4782 -1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.1101 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1359 1.2121 0.4248 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0952 0.7659 -0.1668 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 1.1274 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 1.8678 1.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 0.6376 -0.3013 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2761 -0.1871 -1.4369 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -0.1723 0.6542 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7901 -0.5376 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -1.2820 1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 2.0992 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 2.4251 -1.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 2.5826 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -1.5224 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -2.1547 1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -2.8816 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -1.4746 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 -0.0087 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 0.1307 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7639 -1.4041 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.4049 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 0.5663 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 1.8554 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 0.1455 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 1.5085 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 -1.0827 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 -0.3506 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 0.4762 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 -1.4114 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5093 -0.8359 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 0.3182 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 -2.0755 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6321 3.3285 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 1 6 27 1 0 9 28 1 6 10 29 1 0 10 30 1 0 11 31 1 1 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 16 36 1 0 M END