HMDB0240660 RDKit 3D 5-Bromotryptophan 27 28 0 0 0 0 0 0 0 0999 V2000 3.5946 -0.1157 0.5879 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 -0.4839 0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3320 -0.6517 1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.9874 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5724 -2.2467 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -2.1221 0.1076 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 -0.8054 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2754 -0.1594 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 1.2359 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.9341 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 3.8408 -0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 1.2805 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -0.1002 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 0.5457 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 0.3543 -1.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 1.7868 -0.9545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -0.4524 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7231 0.9194 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.4520 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 -1.3854 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 0.3306 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 -3.1769 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -2.9050 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -0.7081 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2626 1.7267 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 1.8764 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 1.9211 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 13 4 1 0 13 7 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 12 26 1 0 16 27 1 0 M END