HMDB0114444 RDKit 3D PE-NMe2(22:1(13Z)/18:1(9Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -4.0702 -1.0071 -5.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 -2.0581 -4.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3837 -2.3463 -4.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -3.4257 -2.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -2.9088 -1.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -2.0303 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 -1.2463 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9576 -1.9844 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 -0.8279 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -0.7045 1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -1.7332 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -2.2965 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -3.6552 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -3.7000 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -5.1261 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -5.5121 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 -4.9910 -3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -3.5651 -3.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 -2.7728 -4.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 -3.0045 -3.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4304 -1.8459 -3.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 -0.7469 -2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 -0.9311 -2.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 0.4056 -2.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 1.4886 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 1.3666 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 0.7051 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 -0.7568 0.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 -1.1458 2.5424 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7309 0.2145 3.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 -0.7724 3.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -2.2240 3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 -3.3473 3.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5197 -2.9798 5.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -1.9376 5.5447 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -2.3649 5.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6758 -0.7255 6.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.6968 0.5805 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.9663 1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 2.2193 2.7584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0747 2.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 3.2624 3.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 3.9063 4.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 2.8614 5.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8346 3.2008 5.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 3.6033 4.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 2.7091 3.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0655 3.0804 2.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 3.4129 1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 3.4120 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 4.4848 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 3.9233 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7043 2.6905 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 1.7192 -2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 1.1359 -2.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 2.1447 -2.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7469 1.7141 -2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 -1.3813 -6.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -0.1150 -5.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -0.7148 -5.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6189 -2.9880 -5.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.7614 -3.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0515 -2.6998 -4.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6994 -1.3946 -3.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2468 -3.7773 -2.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 -4.2624 -3.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1971 -3.8094 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6469 -2.3013 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0367 -1.4115 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2198 -2.7764 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 -0.4063 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 -0.7194 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 -2.6568 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 -2.4519 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 -0.1118 2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 0.1006 2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 -1.2744 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -2.6183 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -1.6275 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -2.1878 2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.3340 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 -4.0807 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 -3.2392 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 -3.1303 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 -5.6940 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -5.5694 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -6.6643 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -5.2821 -2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -5.2845 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 -5.5440 -4.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 -2.9109 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.5261 -4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -1.7218 -4.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -3.1167 -5.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 -3.8448 -3.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -3.3898 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 -1.4936 -4.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -2.1376 -2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 1.8198 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 2.3952 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 0.7908 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 0.8265 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 0.9912 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 -1.5941 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -4.2086 4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8227 -3.7290 3.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -3.8617 5.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -2.6722 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 -1.5568 5.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 -2.6089 4.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 -3.2027 6.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -0.2958 6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 -0.7620 7.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 0.0950 5.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 4.8439 2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 4.3974 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 3.3263 4.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 2.2055 3.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 3.9590 3.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 4.8778 4.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 2.7285 6.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 1.8890 4.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 2.2936 6.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 3.9736 6.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 4.6759 4.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 3.5848 5.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3348 1.6773 4.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 2.3634 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1091 3.0978 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5366 3.6507 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 3.9229 2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 2.4684 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 4.4792 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 5.4533 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 3.8288 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 4.6976 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 3.0915 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 2.1677 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 0.8514 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 2.0647 -3.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 0.2141 -3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 0.8231 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 2.0782 -4.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 3.1996 -2.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3939 2.6309 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 1.1689 -3.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8715 1.1108 -1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 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 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 0 27102 1 0 27103 1 0 31104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END