HMDB0114460 RDKit 3D PE-NMe2(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -5.8933 -5.8348 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4668 -5.8948 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 -6.8952 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1729 -7.0525 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1058 -5.7569 -2.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5823 -6.1292 -3.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8778 -6.0074 -5.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -5.4723 -5.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 -6.5200 -5.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -6.9717 -4.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -6.4126 -3.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -7.4446 -2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 -7.8082 -1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 -7.3755 -1.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 -6.4598 -2.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -5.3033 -2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -4.7721 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -4.5414 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2938 -3.8984 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 -3.6406 1.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -2.8008 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -1.4241 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9573 -0.5722 1.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -1.0074 -0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 0.2735 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 0.7160 -1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1369 2.0102 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 2.4722 -3.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1311 1.6807 -3.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 3.7451 -3.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4881 4.9006 -3.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0501 5.2419 -1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3593 6.4855 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 6.9422 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 8.2198 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 8.8794 1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 8.1263 2.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 7.8552 2.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 7.1582 4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 6.9632 4.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 6.3418 5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 5.1908 5.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 4.4344 3.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 4.2458 3.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 3.4522 2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 4.0619 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 5.3967 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 5.3483 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 6.7559 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4851 6.8249 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 0.1988 -1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 -0.1756 -0.8026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -0.3500 -1.4256 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1773 1.0030 -1.8304 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3759 -1.4196 -2.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -0.9501 -0.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9416 0.0843 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.3613 1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 -0.7840 1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 0.2893 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 -1.5670 2.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2688 -6.7104 2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3174 -4.9395 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -5.7679 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5223 -6.1636 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3474 -4.8796 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -6.6740 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7951 -7.8651 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 -7.7923 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2158 -7.4577 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 -5.3887 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8717 -5.0922 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6101 -6.5406 -4.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2959 -6.3124 -6.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 -4.7095 -5.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 -4.8506 -4.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 -6.9738 -6.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -7.7882 -5.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 -5.9708 -3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -5.5748 -3.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 -7.9846 -2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 -8.6323 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 -7.1429 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 -8.3780 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9277 -6.7174 -3.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -4.6591 -3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 -5.2458 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 -3.7081 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 -5.5567 -0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 -3.9936 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -4.6215 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6861 -2.9936 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 -3.0990 2.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 -4.5722 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3593 -2.7634 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 -3.2711 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 1.0214 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1965 0.7537 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -0.0262 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2706 4.0654 -4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 3.6548 -4.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 4.6336 -3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5036 5.8141 -3.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 5.4079 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8623 4.3570 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 6.3295 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5332 7.3156 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5983 6.1860 0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 7.0747 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 8.9563 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 8.0339 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8861 9.8783 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 9.1978 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 8.6079 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 7.1347 2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 8.8387 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 7.2330 1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.7879 5.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 6.2133 4.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 6.5687 3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 8.0374 3.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 6.8974 6.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 4.7600 6.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 3.3691 4.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 4.7000 3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 5.1905 3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 3.6264 4.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 2.4774 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 3.1924 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 4.0822 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 3.3582 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 5.6558 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 6.1907 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 4.6241 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 5.0564 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 7.4896 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 7.0218 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7296 7.8619 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0604 6.5893 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7484 6.1910 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -0.6121 -2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 1.1552 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -0.9648 -3.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 0.9529 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 0.3987 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -1.1897 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 0.4516 2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 0.6336 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -0.0875 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 1.1269 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 -0.9453 2.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 -2.3559 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1243 -2.0634 2.9223 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 28 30 1 0 30 31 1 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 2 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 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 55143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 60148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M END