HMDB0030120 RDKit 3D (S)-Angelicain 37 39 0 0 0 0 0 0 0 0999 V2000 4.2986 0.7306 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 0.2110 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 -1.2778 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5408 0.8330 0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 0.4798 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -0.2281 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 -0.1648 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 -0.1016 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 -0.0354 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1419 -0.0306 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 0.0310 -0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4332 0.0342 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7996 0.1065 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6946 0.1623 -1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 -0.0287 1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -0.0946 1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9623 -0.1533 3.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -0.0950 1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 -0.1627 1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -0.2259 3.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -0.1198 -1.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 1.1140 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 1.5724 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 -0.0882 -2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -1.4831 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0615 -1.5405 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 -1.8449 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 1.8187 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1209 1.5427 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 -1.3048 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 0.2872 2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 0.0143 -2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3312 -0.8061 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3069 1.0116 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7504 0.1391 -2.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1978 -0.0284 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -0.2742 3.5149 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 8 21 1 0 21 5 1 0 19 7 1 0 18 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 9 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 20 37 1 0 M END