HMDB0285424 RDKit 3D PE(P-18:1(11Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 127126 0 0 0 0 0 0 0 0999 V2000 9.7912 -4.8723 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 -4.8523 -1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8857 -3.5570 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 -2.4515 -2.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -1.8394 -2.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 -1.2378 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 0.0098 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 0.9902 -1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 1.5153 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 2.7869 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8449 3.8017 -1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1670 4.5299 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6926 4.3386 1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 3.3627 1.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3559 3.2708 2.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 2.2305 3.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0074 2.1224 4.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 1.3559 2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 0.2705 2.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 0.6897 3.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 1.5904 2.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 2.8227 2.7651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 1.1876 2.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 2.0538 1.3508 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5436 2.1769 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 1.1195 2.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 0.0474 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -0.6847 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 -1.8892 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 -1.6111 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6831 -0.4044 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5287 -0.5808 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5054 -1.7386 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3714 -1.9479 2.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 -3.0849 1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2758 -2.7581 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9726 -1.4947 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2772 -1.4059 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2324 -2.5042 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0502 -2.0747 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0927 -3.0792 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8281 -2.5943 -2.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4902 -1.2764 -1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4746 -1.4247 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 1.9485 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 2.2052 -0.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 2.0980 -2.4324 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3554 1.9251 -2.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 0.7738 -3.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 3.5070 -3.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 4.3762 -2.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 5.6455 -2.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 6.5012 -1.6927 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -5.8447 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5419 -4.0904 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9888 -4.8992 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7960 -5.5916 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 -5.3417 -2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0328 -3.2402 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 -3.7780 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2030 -2.8859 -3.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 -1.6637 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -1.1948 -2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 -2.6541 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2273 -1.9386 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7358 0.3817 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2628 1.7694 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4715 0.6255 -2.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 0.7810 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7364 3.0545 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7703 3.5682 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 4.6562 -1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 5.3486 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0741 5.0185 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3134 2.6524 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 3.9189 3.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 0.8464 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 1.9178 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.3195 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -0.4276 3.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 1.0925 4.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -0.2504 3.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 3.1018 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 2.8439 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 2.9437 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 -0.4131 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 -0.3779 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2553 -2.7475 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 -2.1396 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4506 -2.4957 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -1.3486 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 -0.2174 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0337 0.4674 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 0.3212 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 -0.7454 2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 -2.6885 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0634 -1.4385 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8389 -1.0391 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6871 -2.3271 2.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7685 -3.9949 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9639 -3.2434 2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5945 -2.7083 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8989 -3.6301 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3318 -0.6142 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6705 -0.3875 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9421 -2.6094 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8232 -3.4914 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2980 -2.0649 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4034 -1.0631 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6042 -4.0537 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8859 -3.1757 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5966 -3.3199 -2.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0522 -2.4270 -2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0181 -0.9959 -2.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8078 -0.4588 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0625 -2.3405 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9389 -1.4430 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1288 -0.5255 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 1.0053 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 2.7579 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 0.3910 -3.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 3.8644 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 4.6555 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 5.4193 -3.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 6.2084 -3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 5.9483 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 7.1969 -1.3638 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 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 2 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 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 27 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 M END