HMDB0028903 RDKit 3D Isoleucyl-Aspartate 35 34 0 0 0 0 0 0 0 0999 V2000 3.4244 2.5394 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 1.9208 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 0.4180 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 -0.0367 1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -0.2424 -0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3649 -1.7007 -0.8954 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 0.1355 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5626 1.3159 -0.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.8962 -0.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -0.6235 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 -1.2895 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -0.8586 -1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2053 -1.3851 -2.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 0.0544 -2.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 -1.1406 1.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6694 -1.7080 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 -0.9927 2.3304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5152 3.5811 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 2.4761 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 1.9003 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 2.2189 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 2.3134 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 0.1521 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 0.1007 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 0.6643 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 -1.0850 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 0.0602 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 -2.1252 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -1.8636 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 -1.9201 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 0.4844 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 -0.9794 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 -2.3882 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 1.0478 -2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -0.1478 2.8653 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 2 0 12 14 1 0 10 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 2 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 14 34 1 0 17 35 1 0 M END