HMDB0036678 RDKit 3D alpha-Bergamotene 39 40 0 0 0 0 0 0 0 0999 V2000 3.8144 0.8143 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 -0.4241 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -1.3146 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.6907 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 0.1935 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 0.8578 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 0.0329 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 -0.8723 -1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 0.7624 -1.4549 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5986 1.7992 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 1.1975 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 0.0131 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -0.5426 2.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -0.7749 -0.0653 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8026 -0.5244 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 0.7096 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.7183 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9191 0.9547 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 -1.0754 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -1.1302 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 -2.3884 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 -1.5979 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 0.9514 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -0.4227 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.6373 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.4866 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.9403 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -0.8793 -2.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -0.5705 -2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 1.0354 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 2.1950 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 2.6657 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6096 1.7297 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -1.1954 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 0.2517 3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -1.2224 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -1.8131 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 -1.2518 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 -0.3747 -0.9431 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 1 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 14 7 1 0 15 9 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 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 6 10 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 1 15 38 1 0 15 39 1 0 M END