HMDB0009536 RDKit 3D PE(22:1(13Z)/22:2(13Z,16Z)) 151150 0 0 0 0 0 0 0 0999 V2000 12.4990 1.2338 2.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3113 1.1416 3.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0299 2.5373 3.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 2.5023 4.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 1.9659 4.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2338 2.7951 2.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 3.4306 2.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 3.4155 3.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 2.8041 3.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 3.4812 3.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 4.8579 3.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 4.9599 4.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 6.4486 4.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 7.2005 3.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 6.7711 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 6.9926 3.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 6.5482 4.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 6.8167 4.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 5.8023 3.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 6.0961 2.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1602 4.8506 1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 4.7021 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 5.6605 0.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 3.4858 0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 3.0459 0.2853 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3578 1.8655 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 1.6156 -1.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 0.5882 -2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.0793 -2.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 0.3321 -2.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1983 1.2457 -3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 1.4326 -4.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 0.3523 -5.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 -0.8751 -5.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 -0.6418 -5.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 -1.9568 -5.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 -2.9386 -6.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -4.2941 -6.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -4.1920 -6.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7528 -5.5747 -6.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1857 -5.3997 -5.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8508 -5.8009 -4.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2308 -6.4355 -3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8631 -7.8307 -3.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2319 -8.5748 -2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8502 -9.9343 -2.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1586 -10.6562 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6869 -10.8392 -1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 -11.6591 -2.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0558 -11.9034 -2.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1588 2.6549 1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8093 1.7071 2.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 1.2554 3.4429 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9237 2.4444 4.4264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -0.0477 4.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 0.8904 3.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9128 -0.5038 3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 -0.7429 2.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -0.0396 3.9688 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3939 0.7786 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2548 0.6841 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7385 2.2590 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4404 0.7739 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5297 0.4726 4.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 3.2080 2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9613 2.8952 4.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 1.8638 5.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 3.5373 5.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 1.8969 4.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7839 0.9088 3.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9761 2.8695 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 4.0259 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 4.4598 4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2608 2.8613 4.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 1.7657 2.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 2.9045 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 5.4735 2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 5.3616 4.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 4.4169 5.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 4.5604 3.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 6.4841 5.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 6.8049 5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 8.2699 3.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 7.3195 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 7.2571 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 5.6704 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 8.1511 2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 6.6807 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1809 5.4984 4.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9335 7.2117 5.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 6.8302 5.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 7.8507 3.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 5.5251 2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 4.8245 3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 6.9742 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 6.2059 3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0699 5.0438 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 4.0089 2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 3.9143 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9447 2.0974 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 0.9806 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 -0.7600 -2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 0.4864 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 0.9613 -3.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 2.2644 -2.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 1.8907 -4.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 2.2884 -5.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -0.0139 -5.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 0.7308 -6.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -1.5332 -6.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 -1.4616 -4.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 -0.3831 -6.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 0.2039 -5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -2.3286 -4.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -1.7806 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -2.4804 -7.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -3.1915 -6.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -4.8948 -7.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 -4.7599 -5.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 -3.7300 -7.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -3.5091 -5.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 -6.2141 -5.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 -6.0413 -7.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7196 -4.9329 -6.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9236 -5.6481 -4.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1668 -6.4687 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6092 -5.9023 -2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 -8.3684 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 -7.6607 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 -8.5893 -2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4447 -7.9883 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 -10.5526 -3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9231 -9.8352 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3383 -10.0678 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6299 -11.6325 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1383 -9.8827 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -11.4088 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9559 -11.1525 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0004 -12.6616 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -12.7219 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9691 -12.2205 -4.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -11.0203 -2.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 3.5388 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.2592 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.0402 5.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -1.0376 2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 -0.7858 4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -1.8228 2.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -0.2778 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 -0.7493 4.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 0.7075 4.3467 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 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 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 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 6 26100 1 0 26101 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 39121 1 0 40122 1 0 40123 1 0 41124 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 49138 1 0 49139 1 0 50140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 55145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 59150 1 0 59151 1 0 M END