HMDB0029082 RDKit 3D Tryptophyl-Glutamate 43 44 0 0 0 0 0 0 0 0999 V2000 1.2385 -0.5392 -2.2352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 -0.4957 -0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 0.3163 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.3884 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -1.7318 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -1.9483 0.3601 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6319 -0.7749 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 -0.4296 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 0.8692 1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 1.8870 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 1.5278 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 0.2391 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 0.1041 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 0.6237 -2.4777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9402 0.1070 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2378 0.7159 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 -0.3509 -1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -1.3522 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1045 -0.7339 1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2714 -0.2786 1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3341 -0.6384 2.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 1.6571 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 1.8955 1.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9071 2.2975 0.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.3027 -2.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 0.3512 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -1.5178 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 0.2645 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 1.3482 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 -2.4795 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -2.8507 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6812 -1.1964 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3236 1.0841 1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 2.8960 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2839 2.2944 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -0.3100 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 1.2737 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 -0.8990 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1538 0.0834 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -1.9624 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2498 -2.1081 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 0.1785 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 2.2743 -0.7546 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 11 12 2 0 2 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 16 22 1 0 22 23 2 0 22 24 1 0 12 4 1 0 12 7 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 21 42 1 0 24 43 1 0 M END