HMDB0011166 RDKit 3D L-beta-aspartyl-L-leucine 35 34 0 0 0 0 0 0 0 0999 V2000 -3.5292 1.6784 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.7999 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 0.1828 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -0.2171 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.1606 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -0.4831 -1.0894 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0975 -0.5426 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -1.2327 0.7336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3028 0.1852 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 0.0064 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1702 0.4553 1.5598 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 0.7578 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 0.5120 -1.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 1.7269 0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -2.1653 -1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 -2.2886 -2.7791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 -2.9585 -1.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6495 2.2248 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3829 1.0067 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 2.3568 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 1.4940 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 -0.8642 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 0.7365 2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 0.2974 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 0.2644 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -0.8351 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 -1.7192 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 0.0912 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 -0.1747 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 1.2895 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -1.0780 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 1.0011 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -0.3960 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 2.5593 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -3.5105 -0.9527 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 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 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 9 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