HMDB0009055 RDKit 3D PE(18:1(9Z)/16:0) 125124 0 0 0 0 0 0 0 0999 V2000 -17.1103 2.6846 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7808 3.3965 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9218 3.1719 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6689 1.6898 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8059 1.3608 -2.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4385 2.0135 -2.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6934 1.5526 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3266 2.2625 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5600 1.8189 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4022 1.2246 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6459 0.8916 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2664 1.5643 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5076 1.0815 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -0.4132 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 -0.8814 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2926 -2.3589 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7235 -2.9887 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 -2.5601 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 -3.1461 1.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -1.6150 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -1.2038 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -2.0591 0.0533 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5802 -3.5044 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 -4.2291 -0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -5.8669 -0.1598 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2220 -6.0807 0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -6.8539 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -6.3608 1.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9463 -7.3386 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -7.8049 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -8.3608 3.1986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -1.5646 0.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -1.0959 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 -1.1023 -1.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -0.6271 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 0.8606 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.2150 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7739 2.6935 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8727 3.3616 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 3.1422 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8226 1.7721 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3229 1.9314 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9463 0.5967 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3716 0.4897 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8738 0.9374 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8369 2.3848 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3601 2.6937 -2.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7840 2.2591 -2.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1922 2.6361 -3.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1377 1.7891 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3144 2.2720 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9456 3.3492 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2296 2.9546 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9647 4.4741 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0101 3.7721 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5146 3.4861 -1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2563 1.2579 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6464 1.1943 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7376 0.2789 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3069 1.7869 -3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5172 3.0997 -2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8626 1.6843 -3.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4994 0.4607 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1840 1.8076 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7775 2.1122 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5155 3.3801 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0159 2.0077 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9414 0.9401 1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4625 -0.2199 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0669 1.1723 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 2.6416 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7295 1.2482 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9752 1.3880 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 1.5865 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2242 -0.9733 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6989 -0.6137 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 -0.4102 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9803 -0.6123 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2424 -2.8886 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 -2.6189 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 -4.1078 0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 -2.9554 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 -0.1634 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.9152 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -1.9511 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 -3.8411 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -3.8862 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -6.6639 -1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -6.8563 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 -8.1648 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -8.6198 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -6.9848 2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -8.6040 2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -7.7974 4.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 -1.0648 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -0.9404 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5325 1.2234 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 1.3078 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 0.6493 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 0.9078 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 3.0449 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7499 3.0604 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 3.1378 2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 4.4914 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 3.8969 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4018 3.5102 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8984 1.4407 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4576 1.0007 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 2.1974 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7316 2.7368 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6627 0.1667 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0609 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9244 1.1367 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7815 -0.5524 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 0.4219 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 0.5300 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9470 2.9525 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5937 2.8596 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2166 3.7642 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 2.1278 -2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8842 1.1449 -2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4394 2.7416 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2712 2.8964 -3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9627 1.7729 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6266 3.5310 -4.0767 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 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 49123 1 0 49124 1 0 49125 1 0 M END