HMDB0028906 RDKit 3D Isoleucyl-Glutamate 38 37 0 0 0 0 0 0 0 0999 V2000 -4.4206 0.7054 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 -0.4485 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -0.3248 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 -0.2446 -1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3608 0.8155 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 2.0952 0.3168 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 0.8084 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 1.8409 -0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -0.3204 -0.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1161 -0.4097 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -1.0688 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 -0.2788 1.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 1.0662 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 2.0072 0.7844 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0561 1.2561 1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9747 -1.2683 -1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -1.7288 -2.2726 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 -1.5632 -2.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 0.3748 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 1.3792 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 1.2115 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2228 -0.6272 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -1.3831 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -1.2664 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -0.9746 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 -0.5954 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 0.7535 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 0.6596 1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 2.3898 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 2.8117 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -1.2034 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 0.5874 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 -2.0894 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 -1.1685 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 -0.8242 2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.2310 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 1.0750 2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 -2.1685 -2.5778 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 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 18 38 1 0 M END