HMDB0028764 RDKit 3D Aspartyl-Tryptophan 40 41 0 0 0 0 0 0 0 0999 V2000 3.8164 -2.7311 1.5117 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 -1.6390 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 -0.4485 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 0.7522 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 1.7204 0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 0.7718 -0.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -1.4095 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 -2.0860 1.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -0.4927 -0.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 -0.3726 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 1.0589 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 1.2430 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 1.8133 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 1.8026 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 1.2366 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 0.9926 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 0.3893 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 0.0243 2.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 0.2665 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 0.8738 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 -0.8016 -2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -1.1757 -2.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -0.7958 -2.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 -3.6554 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8323 -2.6161 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -1.9571 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -0.2318 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 -0.6936 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 1.2875 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 0.0998 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 -1.0388 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 1.6847 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 1.3913 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 2.2210 -2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 2.1594 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0333 1.2863 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9044 0.2088 2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -0.4458 3.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 0.0023 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -0.6953 -3.3404 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 4 6 1 0 2 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 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 10 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 2 26 1 0 3 27 1 0 3 28 1 0 6 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 23 40 1 0 M END