HMDB0009999 RDKit 3D PIP(20:1(11Z)/18:1(11Z)) 153153 0 0 0 0 0 0 0 0999 V2000 2.1392 1.3783 -8.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 1.2467 -7.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.1210 -6.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 0.0040 -5.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -1.1284 -4.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -1.3789 -3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 -2.4692 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 -2.3724 -1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -1.1417 -0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -0.6696 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 0.5920 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 1.0228 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 2.2088 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.9440 2.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 3.0797 3.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 2.9056 4.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 1.9669 5.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7757 0.5675 5.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 0.1881 4.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 -0.4039 5.7938 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 -1.7078 5.3337 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6998 -2.6756 6.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -2.4004 6.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -2.5476 5.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 -2.9433 4.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -2.2184 5.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 -3.3709 5.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 -4.4849 4.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1244 -4.3459 3.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 -3.5148 2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 -3.6778 1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9266 -2.7987 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -3.0047 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -2.3079 -1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 -0.8613 -1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -0.0620 -2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 -0.4739 -3.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.0228 -4.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1169 -0.7219 -5.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2981 -0.4146 -6.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4874 0.9021 -7.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 1.8069 -7.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 2.3572 -5.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6812 1.4085 -4.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -2.1740 5.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 -1.4105 4.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -2.0554 3.8135 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9419 -2.8737 5.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 -3.1987 2.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -0.9845 3.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 0.3535 3.4418 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2467 1.0793 4.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 0.5070 4.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 2.5504 4.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 3.1474 5.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 3.1269 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 3.6406 3.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8162 2.2955 1.9010 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7631 2.8204 1.0204 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 3.4071 -0.4029 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2627 2.4129 -1.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 4.8389 -0.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 3.7819 -0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 0.8290 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 0.6338 2.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 2.1790 -8.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 0.4043 -9.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.5915 -9.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 2.2232 -7.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 1.0065 -8.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -0.8250 -7.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 0.2975 -6.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 -0.2995 -6.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 0.9097 -5.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -0.8624 -4.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -2.0904 -5.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9986 -1.8044 -4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -0.4748 -3.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -3.4311 -3.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -3.2326 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -1.4410 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 -0.3012 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0123 -0.4881 -1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -1.4596 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 1.3812 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 0.3766 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 0.2115 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 1.2825 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 2.4636 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 3.0520 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 0.9910 2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 1.8371 2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 3.9306 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 3.5209 3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 2.5026 5.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 3.8894 5.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 2.3456 5.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.9589 6.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -1.7740 4.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -3.7216 5.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -2.5703 7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8292 -1.7625 4.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 -1.4261 6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7928 -3.7681 6.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2336 -2.9709 6.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 -4.8452 4.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -5.4066 5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2328 -4.1307 4.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3374 -5.4296 3.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8966 -3.7225 1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -2.4100 2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -3.4997 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7505 -4.7259 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8577 -2.9625 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8859 -1.7313 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -4.0920 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -2.6284 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 -2.6702 -2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -2.7296 -2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8169 -0.3870 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 1.0401 -2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 0.1464 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -1.5162 -3.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 -0.3302 -5.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 1.0657 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 -1.8357 -5.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 -0.6338 -4.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -0.9127 -7.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1974 -1.0628 -6.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 1.5608 -6.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 0.7796 -8.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 2.6898 -7.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5164 1.2797 -7.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 3.1833 -5.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 2.9451 -5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8515 0.3959 -5.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 1.2942 -3.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7363 1.7611 -4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 -2.0380 5.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -3.2613 4.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -3.7891 2.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 0.5407 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 0.7625 5.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 1.2300 4.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 2.8573 4.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 4.1102 5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 4.0760 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 4.1287 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 2.4174 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 5.6143 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 3.4798 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 0.2331 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 0.0281 1.5711 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 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 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 6 78 1 0 7 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 6 22100 1 0 22101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 49141 1 0 51142 1 6 52143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 6 62150 1 0 63151 1 0 64152 1 0 65153 1 0 M END