HMDB0261288 RDKit 3D PE(18:1(11Z)/PGD1) 134134 0 0 0 0 0 0 0 0999 V2000 -5.2878 -2.8742 -6.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0095 -1.9737 -5.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 -0.5267 -5.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 0.1598 -5.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 -0.2736 -6.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 0.6646 -6.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.3310 -7.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 -0.0412 -7.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -0.1772 -5.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.6164 -5.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 -1.8452 -4.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -3.1769 -3.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 -4.3771 -4.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 -5.6069 -3.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -5.7473 -2.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -5.8968 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 -6.0109 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -4.8198 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -4.8349 1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -3.7004 -0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 -2.6173 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -1.4627 -0.2053 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3674 -1.7823 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -0.6634 -1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -0.8767 -2.7944 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5322 -2.3023 -2.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 0.0949 -2.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6092 -0.3276 -4.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 0.6840 -4.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 1.1587 -6.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 1.6679 -6.2015 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 -0.3782 0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 0.7600 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 0.7626 -0.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 1.9947 1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 2.0523 2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3399 3.2521 2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 3.3614 4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 3.2131 4.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 3.4798 5.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 3.2387 5.6803 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2496 1.7946 5.3558 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8588 0.9559 5.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 1.3862 6.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 2.2512 7.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 1.9919 8.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 3.5787 6.9826 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8208 4.3941 6.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 3.9722 7.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 4.6772 7.0745 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1896 5.9640 7.6461 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 4.7502 5.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 3.3780 5.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9257 2.5209 5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3151 3.1132 5.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8912 3.3202 4.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9217 -3.8129 -6.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -3.2994 -5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 -2.4200 -7.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -2.2765 -5.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 -2.2221 -4.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 -0.0119 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -0.3445 -6.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2356 0.1699 -4.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 1.2502 -5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -1.3215 -6.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 -0.1795 -7.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 0.5761 -5.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 1.6853 -6.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 0.3952 -8.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 -0.2638 -7.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 0.4542 -5.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 0.1255 -4.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -2.3482 -5.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -1.6644 -6.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -1.7391 -3.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -1.0504 -3.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 -3.2672 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -3.2787 -4.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -4.4213 -3.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -4.4537 -5.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -5.5973 -4.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 -6.5335 -4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -6.7317 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -4.9363 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 -5.0747 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 -6.8667 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 -6.9031 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 -6.2538 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 -3.0014 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -2.2036 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 -1.2026 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -2.1055 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 -2.6446 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 0.5358 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 1.5540 -4.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 0.2537 -4.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7282 1.9824 -6.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 0.3674 -6.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 1.3599 -5.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 2.7016 -6.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 2.8111 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0199 2.2980 1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 2.0737 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4359 1.0976 2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 4.1871 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 3.3392 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 2.6378 4.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 4.3849 4.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 3.9354 3.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 2.2052 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 2.7975 6.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 4.5266 5.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 3.8702 4.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 1.6741 4.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 0.0055 5.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 0.3182 6.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 1.4329 6.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 4.1210 7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 5.3350 6.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 2.9918 7.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 4.1572 7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 6.6270 6.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 5.3466 5.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7713 5.2293 5.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 2.8822 5.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 3.4754 3.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0301 1.5240 5.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5858 2.3831 6.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9894 2.4071 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3533 4.0679 6.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2217 2.8441 3.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8962 2.8992 4.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9260 4.4025 4.2445 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 2 0 8 9 1 0 9 10 1 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 42 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 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 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 6 42115 1 6 43116 1 0 44117 1 0 44118 1 0 47119 1 1 48120 1 0 49121 1 0 50122 1 1 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END