HMDB0029123 RDKit 3D Valylaspartic acid 32 31 0 0 0 0 0 0 0 0999 V2000 -3.8765 0.8942 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.1047 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3181 1.1852 0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -0.1256 -1.2666 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1869 -1.2676 -0.5887 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 0.1183 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 1.0893 -1.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 -0.7219 -0.1614 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -0.4974 0.0976 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1401 -0.1073 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 0.1400 1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -0.7652 2.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 1.4423 1.8631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 -1.6737 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -2.6632 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 -1.7103 -0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5366 1.3192 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0938 -0.1863 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1681 1.3969 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 2.0130 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2624 1.2607 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 0.3505 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 2.1155 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -0.1969 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -2.1381 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -1.3252 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -1.5227 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 0.4256 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 -0.9231 2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.8030 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 1.6194 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 -1.4534 -0.9764 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 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 6 5 25 1 0 5 26 1 0 8 27 1 0 9 28 1 6 10 29 1 0 10 30 1 0 13 31 1 0 16 32 1 0 M END