HMDB0010009 RDKit 3D PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) 147147 0 0 0 0 0 0 0 0999 V2000 -2.3083 -3.8006 -8.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -3.6053 -6.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 -2.3569 -6.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -2.0983 -4.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -0.8283 -4.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 0.3191 -4.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 1.3640 -4.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 1.5010 -3.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 1.6346 -3.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5877 2.6572 -2.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 3.8728 -2.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6264 4.1245 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 5.4118 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5671 5.8551 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 5.2904 2.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 3.9557 2.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2549 2.9230 2.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 1.6590 3.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6107 1.5369 3.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 0.6586 3.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 -0.4989 4.1094 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0566 -0.4957 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -0.5069 5.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 -0.3960 6.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -0.2677 7.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -0.4041 6.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 0.9388 5.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 1.5487 4.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 1.7165 3.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 1.1728 2.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 0.3294 1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.8890 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.3041 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 1.2861 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 0.4491 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 0.9918 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 2.4089 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9443 2.8400 -1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 4.3100 -1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5325 4.7083 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 4.3982 -4.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 4.8606 -5.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 4.5785 -6.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 5.2866 -6.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 -1.7125 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -1.7722 2.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.1721 1.9314 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4563 -3.7229 1.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 -2.6622 0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -4.2966 2.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 -4.3601 2.0654 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2755 -4.0677 3.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -2.6813 3.1982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5805 -4.4984 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -3.9730 3.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 -6.0106 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -6.3101 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 -6.6187 2.1241 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8069 -6.9447 3.3827 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -8.6008 3.5581 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8325 -9.2707 3.9205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 -9.2969 2.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -8.8061 4.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 -5.6844 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -5.5370 0.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -4.6527 -8.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -2.9141 -8.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -4.0490 -8.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -4.5050 -6.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -3.4446 -6.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -2.5565 -5.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 -1.4946 -6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 -2.9694 -4.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -1.9433 -4.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0304 -0.7236 -3.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -1.0681 -4.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 0.2667 -6.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 2.2215 -5.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 2.4103 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 0.6177 -2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 0.7292 -3.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6818 2.5558 -3.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 4.7303 -2.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 3.9655 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 3.2701 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7453 4.3265 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2059 6.2176 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 5.3115 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7258 6.0270 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 7.0156 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1766 5.7783 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 5.9405 3.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2914 3.5135 2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 4.0500 3.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3293 2.6183 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 3.2474 2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9713 -0.4180 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 0.2848 6.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -1.4833 5.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 -0.8873 7.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -1.0775 5.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 0.8896 6.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 1.6132 6.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 0.9874 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 2.5856 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 2.3261 4.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.3952 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.6310 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -0.0660 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 0.9529 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 1.7039 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 0.9317 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 2.3500 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -0.6233 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.2965 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 2.5253 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 3.1325 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0476 2.5937 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 2.2858 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1094 4.5642 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 4.8527 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4607 4.2313 -3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 5.8281 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 4.9186 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 3.3054 -4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7657 4.3237 -5.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 5.9454 -5.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 4.9307 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 3.4792 -6.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 5.2846 -7.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 4.7328 -5.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 6.3398 -5.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -1.7609 2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -2.6555 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 -2.8482 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -3.5935 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 -4.5061 4.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -2.4508 3.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5514 -4.0715 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -3.3147 2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1089 -6.3764 3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 -6.4450 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -7.5339 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -8.6359 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 -8.3275 4.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -6.1664 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 -6.0003 -0.5949 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 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 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 43 44 1 0 21 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 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 64 1 0 64 65 1 0 64 51 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 1 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 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 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 51136 1 6 52137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 57142 1 0 58143 1 6 62144 1 0 63145 1 0 64146 1 0 65147 1 0 M END