HMDB0285513 RDKit 3D PE(P-18:1(9Z)/LTE4) 141140 0 0 0 0 0 0 0 0999 V2000 0.9027 6.3034 5.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 6.8643 4.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0002 6.7133 3.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 7.3159 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 7.2193 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 5.8302 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 5.2680 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 5.8293 -1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 5.3322 -1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 4.4149 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 3.6659 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.7140 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 1.9553 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 1.0263 2.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6223 0.1698 3.2119 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7473 -1.2072 3.3193 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -2.5733 2.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 -2.3650 0.8034 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7703 -1.7715 0.3358 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 -1.8574 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 -1.3246 -1.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 -1.9181 0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 -1.4776 0.0612 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5172 -0.0849 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 0.3636 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 1.6413 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.1437 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 1.4792 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 2.2670 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 1.8295 -2.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 0.4531 -2.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1628 0.0346 -3.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 -1.4283 -4.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -1.9862 -5.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -3.0631 -4.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8206 -3.8725 -3.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -4.0111 -3.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 -4.6969 -3.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -6.0593 -4.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -6.9157 -5.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5558 -6.7969 -6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -5.6674 -6.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 -4.3763 -7.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -2.4402 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4535 -2.6726 1.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 -3.7394 1.7290 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6990 -4.4003 3.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -4.9511 0.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3097 -2.9172 1.7454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -3.7589 2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 -3.0775 2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 -1.8577 3.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.9344 4.5036 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9925 1.4121 4.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7201 2.0231 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 1.6100 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 0.6051 5.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 0.2738 5.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 0.7916 4.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.6176 6.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 7.1382 6.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 5.7313 5.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 5.6461 6.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 7.9390 4.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 6.3215 4.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 7.1965 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 5.6202 3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 8.3701 2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 6.7240 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 7.8254 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 7.7317 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 5.2242 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 4.2157 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 6.9844 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 5.7624 -2.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 5.8339 -2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 4.1857 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 3.7634 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 2.5294 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 2.1053 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 0.8749 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 -0.2728 3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -3.1568 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3723 -3.3262 2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -3.4712 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5451 -2.4715 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6733 -1.2553 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 -1.2465 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 0.6603 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.0991 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 2.2853 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 3.1704 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 0.4290 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 1.6148 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 2.3884 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0746 3.3218 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 2.0383 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 2.5120 -3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 -0.3195 -1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 0.3541 -3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 0.6759 -4.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -0.0297 -3.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 -1.9423 -3.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 -1.3126 -4.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -1.4540 -6.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -3.3208 -5.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -4.9052 -4.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -3.5662 -2.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 -4.6539 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -3.0533 -2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 -3.9860 -4.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -4.7793 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -6.5810 -3.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -6.0033 -4.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -7.0447 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -8.0310 -4.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 -7.7798 -6.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -6.9813 -7.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -5.9382 -7.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.4519 -6.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -4.1003 -8.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -3.5505 -6.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 -4.5150 -6.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -2.1178 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 -3.4360 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 -5.5214 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -4.0858 3.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 -4.6377 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 -2.8280 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3531 -3.7563 2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -2.0891 4.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0079 -1.1275 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 0.1735 5.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6173 0.7276 5.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 2.4482 5.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 2.8945 4.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 2.5394 4.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8871 1.3148 3.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 1.0414 6.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -0.3057 5.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.3580 7.1149 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 3 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 2 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 15 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 6 17 83 1 0 17 84 1 0 18 85 1 6 19 86 1 0 19 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 26 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 1 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 60141 1 0 M END