HMDB0037916 RDKit 3D Glyceollidin II 45 48 0 0 0 0 0 0 0 0999 V2000 -5.9851 0.0573 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 -0.8876 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 -1.7229 1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 -1.0318 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 -0.2876 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 0.4771 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 0.0431 -0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 0.7658 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 1.9480 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 2.3862 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 1.6555 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 2.1124 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 2.7066 0.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 2.1774 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 0.7059 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 0.2627 1.6307 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -0.0735 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 0.0013 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0461 -0.9246 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6766 -1.9816 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6144 -2.9239 -0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 -2.1019 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -1.1372 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -1.0369 -0.7953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8353 0.3546 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9114 1.0669 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8361 0.0648 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0506 -0.2686 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7749 -1.9867 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 -1.1037 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 -2.5785 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 -1.7492 0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8461 0.3502 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -0.9990 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -0.8924 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 3.3113 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 2.9552 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 2.5091 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 2.6041 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 0.1440 2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 0.8196 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0909 -0.8738 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5598 -2.8492 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 -2.9356 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 0.8673 -1.5916 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 11 6 1 0 25 15 1 0 25 8 1 0 23 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 7 35 1 0 10 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 25 45 1 0 M END