HMDB0061851 RDKit 3D alpha-Copaene 39 41 0 0 0 0 0 0 0 0999 V2000 3.1750 -1.7885 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -1.0606 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -1.0113 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 0.0744 -1.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 0.6653 -0.7800 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2211 -0.4659 0.0320 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3519 -0.0925 0.9243 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7071 -0.4684 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 -1.9652 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 0.2667 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.3353 1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 1.9451 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 1.1184 0.4717 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3661 1.7637 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -0.3620 0.8696 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5110 -1.0893 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -2.0371 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 -2.7016 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -1.7039 -1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 0.8100 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.3109 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.3565 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 -1.4187 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -0.7253 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 -0.2343 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5535 -2.1960 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 -2.3048 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 -2.5135 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 0.3979 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 1.2739 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -0.3435 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5563 1.4158 2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 1.9551 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 2.2162 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 2.9197 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 2.7697 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1138 1.1442 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 1.9278 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 -0.5623 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 2 1 0 13 5 1 0 15 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 6 6 23 1 6 7 24 1 1 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 1 M END