HMDB0028722 RDKit 3D Arginylvaline 42 41 0 0 0 0 0 0 0 0999 V2000 -3.2810 -1.3601 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -0.2044 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 0.8775 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 0.3241 -0.8105 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0412 0.7913 -0.5313 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8777 0.2636 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 -0.6875 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.7422 -0.8480 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4315 1.8262 0.1079 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -0.4334 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -0.1180 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 -1.4350 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -1.3016 0.8398 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 -1.0493 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1723 -1.9916 -0.8582 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 0.2795 -0.3701 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1597 1.4082 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 2.5428 -1.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4714 1.2204 -1.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8729 -1.8359 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -1.0174 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 -2.1269 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0457 -0.6133 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 1.8374 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.5679 2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 1.0289 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 -0.4980 -1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 1.5705 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 1.1546 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 2.7398 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 1.6370 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 -1.2297 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7893 -0.7670 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 0.6644 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 0.1786 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -2.1624 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 -1.7261 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 -1.3914 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 -2.9859 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4021 1.0421 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0807 0.4358 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2434 1.8022 -1.4511 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 2 0 6 8 1 0 8 9 1 0 8 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 4 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 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 6 5 28 1 0 8 29 1 6 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 19 42 1 0 M END