HMDB0008828 RDKit 3D PE(14:0/18:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 -13.3548 1.7287 2.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3738 2.2740 1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2147 3.0929 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8503 2.5629 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4813 1.4450 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0439 0.1064 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8119 -0.6434 1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4253 -1.0699 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4755 0.0155 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3427 0.1514 0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9141 -0.7822 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5499 -1.4452 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5799 -2.2064 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5151 -3.0410 1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 -2.5934 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -2.2218 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 -1.1404 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -1.0972 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.9472 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -0.1200 -1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 0.0733 -2.0941 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2982 1.3450 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 1.3905 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 0.5128 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 -0.3465 -0.7623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 0.6021 1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 -0.3578 1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 0.0007 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -0.9715 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 -0.5692 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 0.7982 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8935 1.0295 1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4258 2.4325 1.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 2.7663 0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7377 1.8781 1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3303 1.9853 2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5311 1.1042 2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2346 -0.3449 2.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 -0.0385 -3.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 0.1753 -4.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 0.0340 -5.9424 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3636 -0.0403 -6.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 1.3923 -6.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 -1.3632 -6.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -1.5769 -6.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 -2.8050 -6.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9915 -4.0091 -6.2839 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4375 1.9750 2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5469 0.6221 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1917 2.1538 2.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3110 2.9439 0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6253 1.4651 0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2712 4.0703 1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4516 3.4757 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1687 3.4406 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4615 2.3334 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8181 1.7642 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3578 1.3844 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1095 0.0102 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5202 -0.5401 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2579 -0.0682 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5008 -1.5595 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0853 -1.9071 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5277 -1.6126 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6933 0.7765 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7357 1.0391 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6547 -1.5089 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6792 -0.1672 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 -0.5667 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 -1.9834 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9209 -1.5264 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -2.8674 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -3.6797 2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -3.9467 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 -1.7734 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 -3.4718 2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 -3.1838 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -2.2115 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 -0.1513 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -1.3114 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 -0.7620 -1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 2.2446 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 1.3344 -2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 1.6423 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 0.2556 2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -1.3818 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -0.4493 2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3362 0.0043 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8945 1.0391 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -1.9822 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9617 -1.0131 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 -1.3517 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 -0.5900 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1362 0.9451 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 1.5480 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0870 0.8981 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6785 0.2825 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7038 2.5992 2.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5621 3.1130 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8761 3.8067 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 2.8579 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4525 0.8091 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5219 2.1200 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 1.7674 3.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6526 3.0460 2.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9259 1.2115 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2876 1.4648 1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1147 -0.5124 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3009 -0.6853 2.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0453 -1.0109 2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -1.0816 -3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 0.6693 -3.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 1.7830 -6.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 -0.7044 -6.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 -1.7008 -4.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 -2.7033 -7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 -2.9097 -6.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 -4.4040 -5.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -3.7823 -6.2129 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 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 21 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 1 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 43113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 M END