HMDB0009751 RDKit 3D PE(24:1(15Z)/18:1(11Z)) 147146 0 0 0 0 0 0 0 0999 V2000 5.7472 -4.3310 -7.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -3.8522 -8.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 -2.3875 -8.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -2.2043 -6.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -0.7635 -6.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -0.2904 -7.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 1.0682 -6.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 1.4417 -6.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 0.4626 -6.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.3207 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 1.5779 -4.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 1.3349 -3.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 1.0761 -2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.7114 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 -0.5981 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 -0.9236 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 -2.3639 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -3.2434 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 -2.7808 0.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4952 -4.5175 -0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -5.1369 -0.2442 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6685 -5.6791 -1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -6.0056 -1.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 -4.8587 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -3.7255 -1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 -4.8968 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -3.4593 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 -3.1698 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -1.7159 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -1.4650 2.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -0.0746 3.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 0.6048 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 2.0370 4.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 2.0872 5.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 3.5454 5.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 3.5957 7.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 4.9999 7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 5.6283 6.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 4.7760 6.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 5.1722 6.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 6.4811 6.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 7.0732 5.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2176 6.2357 5.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 6.7592 4.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7339 6.6866 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 7.0560 2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 6.0181 2.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 6.4498 1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -6.3719 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 -7.1014 0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 -8.4514 1.8366 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4554 -8.5790 2.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -8.2326 2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -9.8241 0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4701 -10.4567 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -11.6792 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -12.3770 -0.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 -4.3566 -6.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 -5.3684 -8.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6037 -3.6326 -8.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 -4.0128 -9.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -4.4614 -8.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4378 -2.0944 -9.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2226 -1.8204 -8.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -2.7599 -6.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 -2.5279 -6.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -0.8095 -5.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -0.0937 -6.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 -0.2248 -8.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -1.0555 -7.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 1.8662 -7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 2.4896 -6.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0554 -0.5424 -6.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 0.8204 -6.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.0157 -4.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -0.5036 -5.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 2.3926 -4.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 1.8384 -5.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 0.4876 -3.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 2.2584 -2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 2.0453 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 0.3495 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 0.6153 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 1.5564 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 -1.3629 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 -0.5959 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 -0.2039 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -0.9771 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 -2.5427 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 -2.3334 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 -4.5545 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -6.6006 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.9992 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 -5.5748 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -5.0980 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -2.7225 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -3.4548 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -3.3340 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -3.8000 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.6126 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 -1.0173 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 -1.8830 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -2.1181 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -0.0802 4.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 0.6163 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 0.6738 2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.0759 4.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 2.5090 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 2.5747 3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 1.5183 6.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 1.6000 5.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 4.0118 5.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.9954 4.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 3.2264 7.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 2.9058 7.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 5.1026 8.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 5.6346 7.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 6.6064 6.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 5.7447 5.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 3.7188 5.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 4.3830 6.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 7.1742 6.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 6.3719 7.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 8.0540 6.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 7.4375 4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9721 5.1503 5.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8636 6.2540 6.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1343 6.3457 4.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2926 7.8797 4.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0288 5.6724 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 7.3625 2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0476 8.0504 2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 7.2234 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 5.1656 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 5.6298 3.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 6.8415 2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 5.5438 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 7.2431 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -6.0753 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 -7.0424 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -8.7655 3.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -10.7776 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 -9.7456 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -11.3404 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 -12.3674 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 -12.9044 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 -11.6338 -0.1345 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 2 0 8 9 1 0 9 10 1 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 2 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 21 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 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 8 72 1 0 9 73 1 0 9 74 1 0 10 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 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 53141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 57146 1 0 57147 1 0 M END