HMDB0011172 RDKit 3D gamma-Glutamylvaline 35 34 0 0 0 0 0 0 0 0999 V2000 -4.1766 0.7663 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 0.6934 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 0.5974 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 -0.4869 0.7778 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9037 -0.5121 -0.0615 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 -0.3346 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.1352 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 -0.3805 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8339 -0.1659 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -0.2085 -0.7330 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1935 0.0172 0.1684 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.8309 -1.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 0.8535 -2.6906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 1.8672 -1.7286 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 -1.7571 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 -2.7698 0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9664 -1.9398 1.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 1.7961 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 0.6655 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 0.0727 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 1.6541 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 -0.4563 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 1.2216 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4212 0.9351 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 -0.3059 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 -0.6733 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -1.3530 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.4468 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 -0.9222 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 0.8185 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 -1.2318 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 0.8720 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -0.7969 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8724 1.6744 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 -2.5404 2.3599 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 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 4 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 1 5 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 6 11 32 1 0 11 33 1 0 14 34 1 0 17 35 1 0 M END