HMDB0036575 RDKit 3D Germacrene B 39 39 0 0 0 0 0 0 0 0999 V2000 3.1931 1.7712 0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 0.5281 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -0.3622 -0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 0.2071 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5195 1.1342 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 2.1210 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 1.9380 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 2.9859 -0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 0.7185 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.2138 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.6309 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -2.3386 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -3.8341 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 -1.7694 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 -1.0849 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 1.6604 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 2.6425 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2391 1.9451 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 -1.2889 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5406 0.1514 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -0.6239 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.6503 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 1.7828 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 3.0497 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 3.9265 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 3.0694 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 2.7648 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2619 1.0896 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 0.3089 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 0.0590 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.1353 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 -2.2198 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 -4.0279 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -4.3448 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 -4.2274 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 -2.6873 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -1.2897 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 -1.7136 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.9823 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END