HMDB0029008 RDKit 3D Phenylalanylvaline 39 39 0 0 0 0 0 0 0 0999 V2000 -3.0858 -0.3959 1.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -0.4008 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6704 -0.6312 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 0.8559 -0.3272 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2371 0.8224 0.0271 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2954 0.7589 -1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 0.7303 -2.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 0.7234 -0.6874 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3556 0.7639 0.7485 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -0.6146 -1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 -0.7687 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -0.3441 -1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 -0.5053 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 -1.0833 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 -1.5048 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -1.3457 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2271 2.0882 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 2.8984 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 2.3536 0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -1.1640 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -0.5486 2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 0.6235 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -1.2553 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 -1.5305 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 -0.8165 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 0.2189 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 0.8260 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 0.8443 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 1.5661 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 -0.0917 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 1.6447 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 -0.7090 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -1.4051 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 0.1066 -2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -0.1791 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 -1.2021 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2028 -1.9558 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 -1.6934 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2494 2.3205 0.7837 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 17 19 1 0 16 11 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 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 M END