HMDB0001067 RDKit 3D N-Acetylaspartylglutamic acid 37 36 0 0 0 0 0 0 0 0999 V2000 -5.0367 -0.2449 2.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 -0.4925 1.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2385 -1.4710 0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9124 0.3169 0.9471 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 0.0174 -0.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0863 1.1311 -1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 1.0019 -2.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 1.6675 -2.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2016 -3.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 -0.1488 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 0.1049 1.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -0.5935 -0.5135 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -0.7733 -0.1075 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3781 0.5695 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 0.5878 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 0.0891 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 -1.1421 -0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3845 1.0153 -1.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -1.7236 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 -2.2401 1.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -2.0850 1.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 0.7848 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 -0.9653 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 -0.3010 3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 1.1245 1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3116 -0.9183 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 2.1258 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1451 1.0582 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 -0.1600 -3.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -0.8436 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.2344 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 1.2666 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 1.0240 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 1.6647 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -0.0013 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5559 1.9338 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 -2.3466 2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 5 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 13 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 6 6 27 1 0 6 28 1 0 9 29 1 0 12 30 1 0 13 31 1 6 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 18 36 1 0 21 37 1 0 M END