HMDB0028988 RDKit 3D Phenylalanylalanine 33 33 0 0 0 0 0 0 0 0999 V2000 3.7217 -1.5372 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -0.4653 -0.1582 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1246 0.0642 -0.3528 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -0.0589 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 -0.6422 1.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 0.5004 0.4316 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2888 1.1107 -0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -0.6162 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -0.1495 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3609 0.3177 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 0.7545 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1968 0.7173 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4521 0.2521 -1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -0.1728 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 0.6039 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.7839 -0.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8064 0.3767 -0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -1.0503 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 -2.1681 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -2.1338 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5266 -0.9360 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.5490 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 1.2889 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 1.8987 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 0.3983 -1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -0.9766 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 -1.4708 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 0.3353 2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2596 1.1260 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2098 1.0594 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 0.2244 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 -0.5375 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 -0.4465 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 0 6 23 1 1 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 17 33 1 0 M END