HMDB0030489 RDKit 3D Artonol C 65 70 0 0 0 0 0 0 0 0999 V2000 -3.6015 -3.7451 -2.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 -3.3821 -1.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 -3.9440 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -2.3989 -1.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -3.0221 -1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -2.0960 -1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -0.8771 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 -0.0961 -0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -0.4495 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6893 0.4006 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 0.0258 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.1951 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -2.0519 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -3.2849 -1.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.6722 -0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 -2.5010 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 -3.6071 -1.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9919 0.8890 0.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 2.1401 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 3.1413 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 2.1008 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 2.5050 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 1.7009 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 -0.4125 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1616 0.7815 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 1.5589 0.6589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 1.2021 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4765 0.4071 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2501 -0.7566 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2911 -1.5636 -0.9965 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -1.2033 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7788 0.8287 0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0942 1.9960 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0489 2.8335 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8994 1.6922 2.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 2.8118 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7158 2.4347 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -3.3587 -3.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4201 -4.4556 -2.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -4.1797 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -3.2910 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 -4.9458 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -2.0308 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -3.5878 -2.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -3.8134 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3097 -1.4820 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -3.5751 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 2.6195 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8928 4.0181 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 3.4073 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 1.1656 2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5546 2.0050 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 2.9548 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1169 3.4494 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 2.0118 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 2.4044 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2304 -1.2582 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7421 2.7741 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0827 2.4650 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9502 3.8770 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6926 2.4394 3.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6908 0.6464 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9896 1.7229 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 3.7482 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 3.0781 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 1 0 13 15 2 0 15 16 1 0 16 17 2 0 11 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 2 0 7 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 2 0 28 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 36 37 2 0 31 4 1 0 16 6 1 0 31 24 1 0 15 9 1 0 37 27 1 0 23 10 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 12 46 1 0 14 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 26 56 1 0 30 57 1 0 34 58 1 0 34 59 1 0 34 60 1 0 35 61 1 0 35 62 1 0 35 63 1 0 36 64 1 0 37 65 1 0 M END