HMDB0009062 RDKit 3D PE(18:1(9Z)/18:3(9Z,12Z,15Z)) 125124 0 0 0 0 0 0 0 0999 V2000 -16.4109 0.8395 3.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0125 -0.1896 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8344 -0.8953 3.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6789 -0.8993 2.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4231 -0.1828 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3188 0.7720 1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1827 0.7371 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8785 -0.2610 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5932 0.4892 -1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4558 0.3635 -2.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3481 -0.4811 -1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0710 0.3437 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 -0.5666 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6377 -1.6025 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -2.5463 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -3.2964 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 -4.2737 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -3.6441 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 -4.3560 0.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -2.2636 0.2804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 -1.7754 0.5012 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8377 -0.8014 1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -0.4207 1.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 0.4925 2.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 0.9200 3.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 0.9439 3.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 2.1711 2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 2.0465 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 0.9618 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 1.1922 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 0.0565 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 0.2562 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 1.5280 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 1.6391 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 0.4798 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1991 0.5087 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 -0.7658 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2396 -0.8455 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4740 -0.8555 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9450 -0.9555 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7398 0.1922 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1877 -0.0071 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 -1.0653 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -0.4991 -0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 0.2551 -2.3434 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4146 0.3185 -2.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 -0.6863 -3.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 1.7876 -2.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 2.1252 -3.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 3.4968 -3.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 4.5587 -3.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1560 1.5449 3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8965 0.2877 4.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4971 1.3291 4.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8773 -0.9369 2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9482 0.2803 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9518 -1.4596 4.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8442 -1.4704 2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2755 -0.8661 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3277 0.4228 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5231 1.5382 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4452 1.5138 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0379 -0.9257 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7231 -0.9418 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3992 1.1402 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3085 0.9478 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0772 -1.0898 -2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5174 -1.1689 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7161 0.8259 -2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3128 1.1131 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3533 -1.1129 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0913 0.0655 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3096 -1.0661 -2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -2.2519 -2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -1.9387 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 -3.2275 -2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 -2.5171 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 -3.7567 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0879 -4.7598 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 -5.0350 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 -2.6088 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 0.0865 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -1.2477 2.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 1.2044 4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 0.0986 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 2.5761 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 2.9769 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 3.0001 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 1.8653 0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 1.0107 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 -0.0557 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 1.3181 2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 2.1288 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -0.9245 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -0.0945 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 0.4005 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.6203 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 2.4911 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2932 2.6226 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 0.5657 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3565 -0.5023 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6475 1.4025 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 0.4981 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5504 -0.8159 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -1.6623 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7214 0.0059 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5959 -1.8051 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 -1.7139 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1045 0.0525 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0805 -0.9588 2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3577 -1.9059 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4205 1.1591 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7174 0.2265 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8843 0.6045 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4374 -1.0764 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3363 0.0790 2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -1.6852 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -0.2057 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 -0.5601 -3.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 1.3992 -4.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7722 2.0713 -4.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 3.5217 -3.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 3.6713 -4.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 4.2263 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1194 5.3558 -4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 2 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 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 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 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 M END