HMDB0029076 RDKit 3D Tryptophyl-Alanine 37 38 0 0 0 0 0 0 0 0999 V2000 5.0907 -1.0377 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 0.0245 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 -0.2989 0.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -0.6165 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 -0.6166 2.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -0.9489 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5888 -0.8790 -1.2664 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 0.0160 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.3859 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -1.4505 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -1.3998 -1.4571 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0374 -0.3363 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 0.1398 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 1.2777 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7552 1.9187 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 1.4367 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 0.3088 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 1.3812 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 2.1177 -0.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 1.8559 0.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7831 -1.5312 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -1.8449 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 -0.5487 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -0.0175 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 -0.2972 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.9476 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 0.0580 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 -1.6454 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 0.0821 1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 1.0302 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3786 -2.1930 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -2.1107 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0573 -0.3513 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7191 1.6717 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0675 2.8173 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 1.9469 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 2.3743 1.7415 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 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 2 18 1 0 18 19 2 0 18 20 1 0 17 9 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 20 37 1 0 M END