HMDB0028889 RDKit 3D Histidylleucine 39 39 0 0 0 0 0 0 0 0999 V2000 -4.3160 -2.2422 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 -0.7207 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 -0.1239 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5009 -0.6897 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 0.5590 -0.1927 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3108 0.1898 0.0774 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 0.3529 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 0.8267 -2.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.0048 -0.6575 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9155 0.2702 -1.8312 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 0.7007 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 0.2149 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 0.7727 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 0.0475 0.3065 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 -0.9410 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -0.8337 1.2954 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 1.6847 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 2.1377 1.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 2.3158 0.4841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4015 -2.3604 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -2.5822 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -2.7479 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 -0.3889 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -0.8710 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 0.1148 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 0.6965 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -1.4212 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -1.2518 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 0.9389 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -0.1966 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 -1.1070 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -0.1670 -2.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 1.2703 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 1.7936 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 0.5607 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 1.6328 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 0.1730 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -1.6979 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 3.0948 1.0412 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 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 3 24 1 0 3 25 1 0 3 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