HMDB0029160 RDKit 3D gamma-Glutamyltryptophan 43 44 0 0 0 0 0 0 0 0999 V2000 -6.5778 0.7098 -0.2599 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5928 -0.3884 -0.0657 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2331 0.2594 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 -0.7449 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -0.0393 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 1.1981 -0.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 -0.7289 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -0.0161 0.0136 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5186 -0.3087 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 0.3923 1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 1.6029 1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 1.9039 1.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 0.9103 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 0.7172 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -0.4120 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 -1.3466 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1407 -1.1895 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 -0.0515 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 -0.1172 -1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 -1.0801 -2.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.8841 -1.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 -1.0040 1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2694 -2.0386 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7827 -0.4067 2.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 0.2174 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2421 1.3162 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 -1.1761 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 0.8238 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1744 1.0598 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2393 -1.3231 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 -1.4582 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 -1.7574 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 1.0928 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -1.4211 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 -0.1003 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 2.2350 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9822 2.7519 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.4474 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3401 -0.5677 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -2.2704 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -1.9558 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 1.8308 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0379 0.5493 1.9293 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 2 0 19 21 1 0 2 22 1 0 22 23 2 0 22 24 1 0 18 10 1 0 18 13 1 0 1 25 1 0 1 26 1 0 2 27 1 6 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 8 33 1 1 9 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 21 42 1 0 24 43 1 0 M END