HMDB0028756 RDKit 3D Aspartyl-Isoleucine 35 34 0 0 0 0 0 0 0 0999 V2000 -4.2911 0.0532 -1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 -0.6316 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1184 0.3942 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 1.5969 -1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 -0.0564 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 -0.7393 -0.2338 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -0.6883 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.4891 1.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -0.6265 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -1.6119 0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 0.7200 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 1.2443 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 2.5014 -0.8901 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 0.8697 -1.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 -1.0645 1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -2.0674 1.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -0.5118 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1325 -0.6408 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 0.8099 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2511 0.6775 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -0.7884 -2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 -1.5750 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.7618 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 1.4399 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 1.9649 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 2.4560 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 0.8235 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0806 -1.3751 -1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 -0.8367 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 -2.4943 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 -1.8862 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 1.4214 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 0.5766 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.1288 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -1.0775 3.0469 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 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 12 14 1 0 5 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 9 29 1 0 10 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