HMDB0009033 RDKit 3D PE(18:1(11Z)/20:2(11Z,14Z)) 133132 0 0 0 0 0 0 0 0999 V2000 17.7136 -3.5560 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2615 -3.1880 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3663 -2.2229 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1309 -1.6387 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0159 -2.4149 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3199 -3.3072 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0225 -3.2100 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 -2.1384 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6253 -1.2615 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3362 -1.1334 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.8003 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 -0.8143 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 -1.6294 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 -0.8292 1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 0.2340 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.1575 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -1.1513 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 -1.4687 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 -0.1518 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.4168 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 -0.3374 0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 1.7740 -0.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 2.2149 0.5774 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6872 3.3206 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 3.1599 -0.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 2.2743 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 1.4022 -0.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2348 2.4343 -2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 1.5010 -2.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4386 1.6413 -1.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5664 0.7248 -1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7172 0.7282 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2389 2.1061 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3407 2.3748 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7193 2.0052 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3660 0.7131 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1487 -0.1922 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7223 -1.4178 -1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4018 -2.0528 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3929 -3.2398 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1617 -3.9925 1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0903 -5.1062 1.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1819 -6.2139 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7070 -5.9099 -0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 2.8860 1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 3.9110 0.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 4.6617 1.9066 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3381 3.8543 1.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 4.5432 3.5599 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 6.2218 1.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 7.1838 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 8.5789 1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 9.4904 2.7004 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2850 -3.9012 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6544 -4.3616 -2.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1342 -2.6244 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7326 -2.8377 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8135 -4.1712 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0717 -1.3989 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9561 -2.7684 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6779 -0.9600 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4487 -0.8179 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3770 -1.7460 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5333 -3.1169 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8038 -4.1724 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5742 -3.9382 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8252 -1.4200 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4146 -2.4706 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3091 -0.7157 -1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -0.4632 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5963 -2.6024 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 -2.2964 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 -0.2693 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 -0.1062 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 -2.2876 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -2.3011 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.5380 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -0.3328 2.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 1.0824 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 0.6990 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 0.7844 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -0.5609 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.8266 0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 -2.1131 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -2.1306 -0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -1.9387 -1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 -0.4424 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 0.5014 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 1.3485 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 3.7376 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 4.2149 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5595 3.5092 -2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5374 2.3328 -3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8677 1.7049 -3.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 0.4377 -2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0566 1.2435 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7239 2.6914 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2092 -0.3121 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 1.0301 -2.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4079 -0.0154 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2799 0.3895 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3386 2.6930 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3598 2.6424 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9365 2.1009 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3404 3.5404 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2476 2.5186 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2393 2.6891 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3546 0.1714 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5110 0.9490 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3695 0.2101 -2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5935 -2.0157 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3612 -1.4427 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3850 -2.5581 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4328 -2.8776 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2407 -3.8774 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1346 -3.2974 2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1092 -4.4340 1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1115 -4.6117 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8520 -5.4699 2.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8672 -7.0011 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1934 -6.7417 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4636 -6.6993 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2794 -4.9619 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9073 -5.9962 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 3.1892 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 2.0881 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 4.6670 4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 7.0397 2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 7.0387 3.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 8.8256 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 8.8194 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 10.2365 2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 8.9952 3.1933 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 1 0 19 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 0 26 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 1 0 36 37 1 0 37 38 2 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 23 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 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 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 M END