HMDB0028907 RDKit 3D Isoleucyl-Glycine 29 28 0 0 0 0 0 0 0 0999 V2000 -2.1437 1.3531 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 0.4493 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -0.6096 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -1.4941 -1.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -0.2086 -1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 -1.4788 -1.5479 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.6346 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 1.8731 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 0.0657 0.2175 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 0.8754 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 0.0057 1.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -1.2501 1.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 0.6244 2.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 1.4281 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 0.8694 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9604 2.3994 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 1.0288 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4983 -0.0726 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.3140 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1998 -1.7043 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -0.9003 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 -2.4020 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 0.2703 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 -1.8655 -2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -2.0706 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 -0.9634 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9004 1.4234 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 1.6205 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 1.4130 2.3077 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 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 M END