HMDB0028892 RDKit 3D Histidylphenylalanine 40 41 0 0 0 0 0 0 0 0999 V2000 2.7213 -1.4734 -0.0444 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -0.2998 0.7740 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1717 0.9305 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 0.7596 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 0.2468 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 0.2641 -0.9677 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7992 0.7669 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 1.0663 0.7824 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 0.0128 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7946 1.0107 1.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 -0.7884 0.3987 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.4392 0.6241 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9609 -0.0667 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 0.2919 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 1.5939 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0941 1.9437 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0795 0.9884 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6872 -0.3041 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3749 -0.6658 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -1.5011 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 -2.5240 1.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -1.4968 1.7982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -2.3290 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 -1.4333 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 -0.4926 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 1.1760 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 1.7793 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 -0.1051 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 -0.0618 -1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7354 0.9322 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -1.6158 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 0.4865 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -0.8589 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 0.8247 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 2.3238 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3823 2.9573 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 1.2182 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4655 -1.0616 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0962 -1.7035 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 -2.3527 1.8508 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 5 6 1 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 12 20 1 0 20 21 2 0 20 22 1 0 8 4 1 0 19 14 1 0 1 23 1 0 1 24 1 0 2 25 1 1 3 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 11 31 1 0 12 32 1 1 13 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 22 40 1 0 M END