HMDB0304329 RDKit 3D demethylphylloquinol 78 79 0 0 0 0 0 0 0 0999 V2000 0.9616 -0.6404 4.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 -0.0122 3.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 0.9958 4.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 1.8340 3.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 1.4732 2.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 2.1578 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 1.8086 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 2.4769 -0.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 0.7816 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 0.4435 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5228 -0.5837 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 -1.2552 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -0.9253 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1022 0.1105 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 0.4229 2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -0.2777 3.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -0.6691 2.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.5767 1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 0.8768 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 1.1927 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8341 0.5999 1.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 0.7967 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 1.1932 -1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 0.9056 -2.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 -0.5398 -2.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -0.6697 -4.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -1.4858 -2.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -1.3043 -2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 -1.3664 -3.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7221 -1.1988 -3.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2611 -2.2786 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0734 0.1346 -2.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -1.7298 4.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1939 -0.4131 5.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -0.2288 4.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 1.3065 5.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 1.9311 4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3856 2.8926 3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 2.9630 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 3.2305 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 0.9956 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0668 -0.8463 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4307 -2.0790 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 -1.4581 2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -0.0722 4.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -0.2119 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -1.7508 2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 -1.1002 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 -1.0798 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 1.3942 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 1.3460 2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 2.3126 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 0.4452 2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 -0.3764 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 1.2505 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 -0.2732 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 1.3714 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 2.2853 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8663 0.7323 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 1.4966 -3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 1.2087 -2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -0.8803 -2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -0.7242 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 -1.5987 -4.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 0.2630 -4.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -1.5512 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7978 -2.5148 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -2.1761 -1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7252 -0.4238 -1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9193 -0.5320 -4.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 -2.3048 -3.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2433 -1.2858 -4.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0743 -2.0531 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -3.2838 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3718 -2.3510 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6254 0.9872 -3.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8867 0.2084 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1782 0.2580 -2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 2 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 15 5 1 0 14 9 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 6 39 1 0 8 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 M END