HMDB0038205 RDKit 3D alpha-Cadinene 39 40 0 0 0 0 0 0 0 0999 V2000 -2.5842 2.9644 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 1.5803 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 1.3979 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.0853 -0.0531 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1794 0.0590 0.7309 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1055 1.1899 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 1.2248 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 1.0146 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -1.2726 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -2.3677 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -2.2801 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 -3.4264 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 -0.9697 0.5419 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4302 -0.8626 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9984 0.4903 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 3.7348 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0144 3.1263 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 3.0549 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 2.2624 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.2653 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 0.1881 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 2.1629 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 1.0000 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 2.2537 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 0.5573 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 0.5739 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7142 1.9850 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 0.3462 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6869 -1.2840 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 -1.6076 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3698 -3.3079 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 -4.3889 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -3.3338 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 -3.4018 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 -0.9186 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -1.4060 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -1.4405 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 0.7791 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 0.5024 -0.7519 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 6 8 1 0 5 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 2 1 0 13 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 6 5 21 1 1 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 1 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END