HMDB0302249 RDKit 3D (E)-alpha-Bergamotene 39 40 0 0 0 0 0 0 0 0999 V2000 5.1481 -0.8755 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -0.3315 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 1.0752 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -1.0666 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -0.4863 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5594 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -0.0534 0.6021 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5649 -0.2286 1.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.3516 0.1136 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4244 1.9074 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 0.9831 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 -0.2745 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0984 -1.4092 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -0.5048 -0.5608 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3290 0.7643 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 -0.9642 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2013 -1.9263 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 -0.2996 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 1.1629 -1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.5409 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.6979 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -2.0953 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -1.0402 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 0.6096 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -1.6413 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -0.0504 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 0.6278 2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -0.4387 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -1.1352 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 2.0370 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 2.0466 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 2.8694 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 1.3235 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 -1.5401 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8242 -1.2893 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -2.3245 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4994 -1.4511 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 1.2544 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 0.7343 -1.9606 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 7 6 1 1 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 6 15 38 1 0 15 39 1 0 M END