HMDB0028888 RDKit 3D Histidylisoleucine 39 39 0 0 0 0 0 0 0 0999 V2000 -3.3108 0.0371 -1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 0.1842 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 0.4207 0.4253 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2332 1.6772 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 0.6048 1.2978 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3136 -0.5455 1.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -0.3910 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.7448 0.4746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -1.5061 0.7605 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3808 -2.7565 1.2158 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -1.7320 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0198 -0.5453 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3878 -0.2605 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 0.8883 -1.9468 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 1.3456 -2.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 0.4764 -1.9696 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 0.7566 2.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -0.0301 3.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5044 1.7976 3.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 -0.8702 -2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 -0.1159 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 0.9008 -2.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 1.0266 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 -0.7824 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -0.4493 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5762 2.5241 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 1.8931 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 1.5744 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 1.5007 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -1.5022 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -1.3090 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 -3.0044 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -2.6815 2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 -2.6151 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -1.9836 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 -0.8656 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 1.3822 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 2.2558 -2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 1.9550 3.9442 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 5 17 1 0 17 18 2 0 17 19 1 0 16 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 1 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 6 6 30 1 0 9 31 1 1 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 19 39 1 0 M END