HMDB0029055 RDKit 3D Threonylarginine 40 39 0 0 0 0 0 0 0 0999 V2000 -4.5108 -0.2140 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8358 1.1195 0.1772 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0376 1.4796 1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 1.0310 -1.0906 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8785 0.6503 -2.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -0.0308 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -1.0858 -1.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 0.1017 0.0833 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.9919 0.2529 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4050 -0.5386 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -1.6216 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -1.2823 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -0.1640 0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 1.1618 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 1.5804 -1.2859 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 2.0732 0.9743 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 -1.3710 1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.7049 2.4727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7655 -2.3937 2.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -0.5733 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 -0.0933 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -0.9490 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6061 1.8962 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0439 0.7423 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 1.9672 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 1.2310 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 0.7370 -3.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 0.9609 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2533 -1.8241 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -0.2095 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 0.3768 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -2.5672 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -1.8385 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 -1.1545 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 -2.1956 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.2754 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 2.5239 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 1.7082 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 3.0592 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 -2.3212 3.1376 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 14 16 1 0 9 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 6 3 24 1 0 4 25 1 6 5 26 1 0 5 27 1 0 8 28 1 0 9 29 1 6 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 19 40 1 0 M END