HMDB0034212 RDKit 3D (R)-Kawain 31 32 0 0 0 0 0 0 0 0999 V2000 -5.1010 0.1763 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 0.7698 -1.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 0.7792 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 1.8948 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 1.9554 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 2.9975 0.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 0.7528 0.7057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -0.4173 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -1.6283 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 -1.8639 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -0.9585 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 -1.1908 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 -0.4479 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 0.6013 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 0.8619 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 0.0840 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -0.4328 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 0.7172 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9945 -0.9155 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9988 0.3567 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 2.7648 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 -0.3026 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -2.4539 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -2.8881 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -1.9911 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 -0.6467 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 1.1726 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 1.6699 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 0.3233 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -0.3654 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6097 -1.3748 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 8 17 1 0 17 3 1 0 16 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 17 31 1 0 M END