HMDB0035198 RDKit 3D Sesquithujene 39 40 0 0 0 0 0 0 0 0999 V2000 5.4292 -0.4883 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 -0.3099 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 0.7528 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 -1.0657 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -0.9346 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.5926 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -0.4907 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -1.8070 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 -0.0127 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 1.3070 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 2.0840 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 1.3579 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8353 1.8900 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1335 -0.0173 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 -0.9103 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0577 0.4175 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9863 -1.2999 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3613 -0.8301 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.3687 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9472 1.1024 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 1.5884 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 -1.8148 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -1.9149 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 -0.1830 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.4017 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -1.3530 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 0.2598 0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -2.1024 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 -2.6532 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -1.8322 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8769 1.2069 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 1.8113 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 3.1558 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5228 2.2792 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 1.1062 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 2.6709 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 -0.4887 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -0.6638 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 -1.9953 -1.1291 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 9 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 7 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 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 0 15 38 1 0 15 39 1 0 M END