HMDB0061597 RDKit 3D PS(MonoMe(11,3)/DiMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 15.6730 4.4916 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2839 4.1835 -1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8653 2.7941 -0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5212 2.5257 -1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1850 2.0033 -2.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7977 1.9586 -2.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9222 1.4746 -3.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 2.4518 -1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9742 2.6260 -1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 1.2770 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2396 0.6529 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2642 1.5444 1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 1.7922 2.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3339 0.4352 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 0.4825 3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -0.9328 3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -1.7580 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 -1.1692 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 -1.1909 2.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 -1.8182 3.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 -0.5681 1.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -0.5270 1.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -1.7073 1.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -2.9744 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 -3.9346 2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 -5.4140 2.8605 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3150 -6.1088 3.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -5.1653 3.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 -6.2996 1.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -6.0354 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 -6.8026 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 -6.4985 -1.7828 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 -8.2360 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -8.6505 0.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -9.1194 -1.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -2.0557 0.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -2.1941 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -2.0134 0.9282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 -2.5332 -1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 -1.4836 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35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 8 59 1 0 59 4 1 0 57 49 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 32101 1 0 35102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 58133 1 0 58134 1 0 58135 1 0 M END