HMDB0302529 RDKit 3D beta-Bergamotene 39 40 0 0 0 0 0 0 0 0999 V2000 -3.5402 1.5969 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8947 0.5570 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 -0.6539 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 -1.7535 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 -1.4196 0.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7824 -0.7439 1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 0.5474 0.7359 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9337 -0.0812 0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3476 0.0975 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 0.2799 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -0.7185 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -0.4753 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 -0.2340 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 -0.1989 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 0.0166 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9877 1.5953 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 2.4774 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -1.0661 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -0.3537 -2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -2.0783 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -2.6742 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -2.2446 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -1.1115 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -0.7998 2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 1.4278 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 -0.8850 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 0.7936 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 0.4750 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.3883 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 1.2647 0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 -0.6150 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -1.7381 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -0.4849 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.5591 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -1.1979 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9359 -0.0651 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 0.1062 -2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 0.9230 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3484 -0.8528 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 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 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 7 2 1 0 8 5 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 1 6 23 1 0 6 24 1 0 7 25 1 1 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END