HMDB0284810 RDKit 3D PE(DiMe(11,5)/18:1(12Z)-O(9S,10R)) 137138 0 0 0 0 0 0 0 0999 V2000 2.2936 -5.9264 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 -6.2796 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -5.2028 -2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 -3.8606 -1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 -3.8634 -1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -2.5592 -1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -2.3220 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -3.3244 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -3.3923 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 -4.4195 1.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -3.0367 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -2.4232 2.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -1.0707 2.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 0.0335 2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 1.3676 2.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 2.5135 1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 3.8638 2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 4.2525 2.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 4.2314 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 3.3115 0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 5.2371 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9822 5.1899 -1.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2771 6.4710 -1.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 6.3942 -2.5815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 5.5850 -2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 4.9957 -1.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 5.3874 -3.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 4.0291 -4.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 3.0019 -3.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0826 1.5897 -3.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 0.5963 -2.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 0.7420 -1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -0.2629 -0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.0087 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.9835 1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 -0.8603 2.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -1.8531 3.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -2.9691 3.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 -3.5630 4.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 -4.8459 5.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -5.9756 5.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -6.3495 4.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -7.5240 4.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -8.0052 3.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 -2.7231 5.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -3.0143 6.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 -1.6327 4.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -0.4842 5.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 4.8271 -2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 4.7781 -3.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 4.4126 -4.9056 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4733 4.2671 -4.5305 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 2.9361 -5.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 5.5941 -6.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 6.0243 -6.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 7.0697 -7.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 8.2252 -6.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -6.8379 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 -5.2323 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -5.5560 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -7.2602 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -6.4174 -1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 -5.1599 -2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 -5.5134 -3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -3.0429 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -3.6474 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -4.7031 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -4.1283 -2.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -1.7167 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.2747 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -3.0367 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3984 -4.3121 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -3.7034 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3474 -3.1284 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 -3.0900 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 -2.4477 3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -1.0574 2.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -0.8066 3.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -0.0850 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3673 0.1297 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7797 1.4795 3.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 1.3314 2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0692 2.4030 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 2.4352 1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 4.0467 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 4.5883 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 5.3192 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9212 3.6694 3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 4.3502 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 6.7989 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 7.2766 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 6.2016 -4.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 5.6001 -3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 3.7979 -4.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 3.9987 -4.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 3.0491 -2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 3.2184 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 1.4467 -4.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 1.2844 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 0.8343 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.4286 -2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 0.6915 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0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 11 9 1 0 47 37 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 1 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 46123 1 0 46124 1 0 46125 1 0 48126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 53131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 M END