HMDB0028898 RDKit 3D Histidylvaline 36 36 0 0 0 0 0 0 0 0999 V2000 -4.2297 0.8051 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 0.8895 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 1.8126 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -0.5134 0.1016 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9843 -0.4664 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0802 -1.0403 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -1.6107 1.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -0.9729 -0.1905 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4519 -0.2913 -1.4333 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3115 -0.3148 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -0.1746 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 0.8904 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 0.6007 -0.3146 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 -0.5945 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 -1.0877 0.7114 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 -1.2598 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 -1.7500 -1.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 -1.4678 -0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -0.0639 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 0.7543 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 1.7116 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 1.2846 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 1.3519 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 2.2428 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 2.6864 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -1.0455 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 0.0169 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 -1.9811 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3412 -0.9093 -2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 0.4690 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 0.6685 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -0.9535 1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 1.8125 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2846 1.2376 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 -1.0977 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2315 -1.6391 -1.3217 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 1 0 14 15 2 0 4 16 1 0 16 17 2 0 16 18 1 0 15 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 1 5 27 1 0 8 28 1 6 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 18 36 1 0 M END