HMDB0248662 RDKit 3D Asp-tyr 37 37 0 0 0 0 0 0 0 0999 V2000 1.5529 -2.0138 0.8464 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -1.0494 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -1.5192 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -0.7140 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 0.2689 -0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -1.0742 -2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 0.2840 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 1.3564 0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 0.4349 0.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 1.7360 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 1.7880 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 0.7880 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -0.4784 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8489 -1.3440 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 -1.0188 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1437 -1.9180 -0.9171 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 0.2319 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 1.1214 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 2.1120 1.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 1.3571 2.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 3.2995 1.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -1.8607 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0492 -2.9534 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -1.1403 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -1.4790 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6755 -2.5555 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -1.1719 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.4308 0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 2.4771 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 1.6728 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 2.7966 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -0.7059 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 -2.3302 -1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2969 -2.5624 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1879 0.5010 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 2.0933 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 4.0008 2.3770 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 2 0 15 16 1 0 15 17 1 0 17 18 2 0 10 19 1 0 19 20 2 0 19 21 1 0 18 12 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 6 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 21 37 1 0 M END