HMDB0029078 RDKit 3D Tryptophyl-Asparagine 41 42 0 0 0 0 0 0 0 0999 V2000 4.8659 2.2663 0.8846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 2.5522 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 3.3279 -0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 1.9332 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 0.5688 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.0598 0.3784 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 -1.2239 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -1.7090 1.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -1.8250 1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -2.9777 2.4547 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -2.3629 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -1.4612 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -1.3242 -1.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0105 -0.3718 -2.3888 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 0.1655 -1.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8239 1.1659 -1.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 1.4862 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3644 0.8211 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 -0.1846 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -0.5135 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 0.5796 -1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 0.1347 -2.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 1.0904 -2.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1882 1.3082 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 3.0725 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 2.6258 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 1.8947 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 -0.0569 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 0.3543 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8568 -1.1530 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0859 -3.8691 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 -2.8422 2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5881 -3.1797 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -2.9397 1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 -1.9308 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9601 -0.0400 -3.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 1.6711 -2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3165 2.2658 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9196 1.0384 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.7160 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 0.4184 -2.5789 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 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 21 1 0 21 22 2 0 21 23 1 0 20 12 1 0 20 15 1 0 1 24 1 0 1 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 23 41 1 0 M END