HMDB0002372 RDKit 3D N-Phenylacetylphenylalanine 38 39 0 0 0 0 0 0 0 0999 V2000 -0.9084 1.8566 -0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 1.6262 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 1.9086 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 0.9034 -1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -0.0571 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -1.0437 -1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 -1.0828 -2.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 -0.1500 -3.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 0.8319 -2.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 1.0876 1.7977 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.7907 2.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4205 -0.6643 2.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -0.8752 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 -0.6356 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -0.8367 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -1.2937 -1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 -1.5453 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -1.3283 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 0.9405 3.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 1.2317 4.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 0.7830 4.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 2.0326 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 2.8813 -0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 -0.0319 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -1.8083 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 -1.8550 -3.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 -0.1774 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 1.6010 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 0.8949 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 1.4475 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -0.9701 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 -1.2820 2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -0.2744 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0855 -0.6452 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 -1.4704 -2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -1.9055 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -1.5280 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 0.6437 5.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 19 21 1 0 9 4 1 0 18 13 1 0 3 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 6 12 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 21 38 1 0 M END