HMDB0028766 RDKit 3D Aspartyl-Valine 32 31 0 0 0 0 0 0 0 0999 V2000 -2.5756 -1.6826 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -0.1730 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 0.4376 1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 0.2666 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 -0.1670 -0.9749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 0.3006 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 1.3716 0.4687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 -0.2916 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8506 0.6869 -1.1765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 -0.7647 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 -1.3361 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6271 -1.8152 1.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -1.3792 -0.9252 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 1.7250 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 2.4394 -1.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 2.3014 -0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7141 -2.0577 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -2.0710 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 -2.0358 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 0.1426 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -0.1251 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 0.2316 2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 1.5213 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3307 -0.2882 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.1257 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -1.1639 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 0.9967 -2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 1.4699 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 0.1561 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -1.4405 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1641 -2.1671 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 2.7859 -0.1174 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 2 3 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 4 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 16 32 1 0 M END