HMDB0009059 RDKit 3D PE(18:1(9Z)/18:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 13.9747 5.7470 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1749 4.4371 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7311 4.7513 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7785 3.6273 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5774 2.6661 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6462 1.8416 -1.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4466 0.9417 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7605 -0.1972 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7695 0.2416 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4942 -0.0428 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 -0.8736 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2514 -2.0814 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2412 -1.6904 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 -0.9087 1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 -1.6715 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 -2.9433 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 -2.6130 1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.7759 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -1.1171 2.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 -1.6985 -0.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 -0.9259 -0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -1.4012 0.0297 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2319 -2.8740 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -3.0560 -1.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 -4.7216 -1.9034 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4196 -4.8935 -3.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -5.5684 -1.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 -5.3297 -0.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -6.6938 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 -7.1608 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -6.8748 1.5643 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -0.6977 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -0.0562 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7006 -0.0916 1.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 0.6603 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -0.3001 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 0.2664 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -0.7810 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8095 -1.1918 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1243 -0.1545 2.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4565 0.5775 2.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5520 -0.4103 2.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4716 -0.6443 1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8167 -0.0751 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2623 1.1186 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5694 2.4379 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0734 2.6808 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6943 2.7365 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1747 3.7942 -1.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3902 5.1654 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8567 6.2033 -2.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 5.5208 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9624 6.2025 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4778 6.3837 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5185 3.9352 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 3.8319 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 5.3788 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5951 5.4780 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0011 3.0965 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 4.1200 0.3565 H 0 0 0 0 0 0 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7 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 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END