HMDB0302902 RDKit 3D Hygrine 25 25 0 0 0 0 0 0 0 0999 V2000 3.5790 0.1534 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.2113 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 0.6349 -1.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -0.1999 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.2544 -0.2050 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3765 -0.7061 -1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -0.9802 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 0.1586 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 0.1333 0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 0.7384 1.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 0.6928 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4751 0.6299 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -0.8931 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 -1.2943 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 0.3263 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 1.2641 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -1.6593 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 -0.2304 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -1.9058 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 -0.9591 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 -0.0586 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4004 1.0584 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 1.1364 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 -0.0298 2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 1.5243 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 4 15 1 0 5 16 1 6 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 M END