HMDB0028879 RDKit 3D Histidylarginine 43 43 0 0 0 0 0 0 0 0999 V2000 -3.9587 -3.7656 0.2654 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1835 -2.5603 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3542 -1.9140 0.3493 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 -1.8964 -0.9771 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 -0.4737 -0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 -0.1343 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 1.3413 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 1.8629 -0.6761 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1396 1.1978 -0.7325 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 1.7531 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.8720 0.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.9772 -0.3417 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6678 1.7436 0.2893 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -0.3849 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 -1.1441 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -1.9864 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -2.4825 -0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -1.9880 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -1.1705 1.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 3.3518 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 4.0213 -1.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 4.0726 0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 -4.2918 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3244 -1.0729 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2915 -2.2944 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 -2.4355 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 0.0753 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -0.1545 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -0.4424 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2518 -0.6633 0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 1.8687 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 1.5387 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 1.6729 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 0.2283 -1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.8003 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 1.4898 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 2.7434 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -0.2620 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 -0.9527 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -2.1994 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 -2.2086 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8536 -0.6246 1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 3.8920 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 8 20 1 0 20 21 2 0 20 22 1 0 19 15 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 6 9 34 1 0 12 35 1 6 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 22 43 1 0 M END