HMDB0013209 RDKit 3D Alanyltryptophan 37 38 0 0 0 0 0 0 0 0999 V2000 3.0739 1.4188 -1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 1.7145 -0.4288 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1888 2.8489 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 0.5538 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 0.6629 1.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -0.6911 -0.1501 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 -1.8784 0.6103 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4253 -2.3447 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 -1.3331 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 -1.2982 2.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 -0.2236 2.2583 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 0.4456 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 1.6013 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1244 2.0782 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 1.4063 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 0.2597 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 -0.2446 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -2.9691 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 -2.7902 -0.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -4.1925 0.9606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 0.7086 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3814 2.3640 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 0.9768 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.9462 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 3.1053 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 3.6479 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -0.7529 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 -1.5973 1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -2.6178 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 -3.2532 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -2.0487 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 0.0763 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0367 2.1318 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 2.9762 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 1.7636 -2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 -0.2689 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 -4.1829 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 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 7 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 6 3 25 1 0 3 26 1 0 6 27 1 0 7 28 1 1 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