HMDB0268455 RDKit 3D PA(i-24:0/20:3(8Z,11Z,14Z)-O(5,6)) 142142 0 0 0 0 0 0 0 0999 V2000 -19.0199 -1.5649 2.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5751 -0.6054 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2063 -1.3700 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7495 -0.4934 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5127 0.3002 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0165 1.1762 -1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8142 1.0285 -2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8271 0.0060 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3967 -0.8036 -3.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2149 -0.9091 -3.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9977 -0.2177 -3.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1161 0.7173 -2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4536 0.6094 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4992 -0.4342 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8738 -1.2527 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9298 -2.2413 0.9802 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2833 -1.3023 1.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4399 -0.3344 2.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1586 0.1237 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -0.8715 1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -0.1104 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 1.1272 1.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 -0.6633 0.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6835 0.2381 0.3947 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3724 -0.1229 -1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 0.5729 -1.7474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 0.7538 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 0.1066 -0.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 1.6757 -2.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 2.0312 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 2.7032 -1.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 1.9788 -0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 0.7614 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -0.0633 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 0.7316 1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 1.3423 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 2.0865 1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3297 2.8318 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3744 2.1076 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1114 1.0465 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1784 0.4282 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9832 -0.6343 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6682 -0.0832 1.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5101 -1.1115 2.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6591 -1.6155 1.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 -0.4707 1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7301 -0.9233 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2856 -1.5246 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5165 -1.9644 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1420 -2.5718 -2.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4514 -0.7938 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 0.1625 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 0.5442 2.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 0.5377 3.8465 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1745 -0.6924 3.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 0.6348 5.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 1.8871 3.7747 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.2710 -2.5301 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8864 -1.1276 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2277 -1.7396 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4006 0.1053 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6931 -0.0512 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4162 -2.1174 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1119 -1.9373 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5524 -1.0752 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5837 0.2032 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9832 1.0356 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8185 -0.3037 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7034 1.9662 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5353 1.7483 -3.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1626 0.2428 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5256 -0.7827 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2228 -1.4016 -3.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1641 -1.6118 -4.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2348 -1.0281 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6107 0.3026 -4.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7917 1.6196 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6921 1.4388 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5473 0.1132 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2818 -1.1015 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8960 -1.7292 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9950 -1.8096 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0689 0.5798 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2433 -0.7080 3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1779 0.9204 1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7032 0.7545 2.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8102 -1.3784 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 -1.6084 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 1.2885 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -1.2647 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -0.1575 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 1.3865 -3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 2.6881 -2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 2.7038 -3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 1.1139 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 3.7484 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 2.9651 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 2.6550 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 1.7728 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 0.0765 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 1.0440 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 -0.4754 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 -0.8560 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6388 1.5532 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 0.0281 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 2.0203 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 0.4872 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 2.8001 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 1.3705 2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 3.3739 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9347 3.7115 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0331 1.6787 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1569 2.8650 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4427 0.2578 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5915 1.5237 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8577 1.2524 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7010 -0.0519 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3227 -1.4819 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7662 -0.9668 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1947 0.8581 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 0.1695 2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9234 -0.6938 3.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8783 -1.9772 2.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2299 -2.3319 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2572 -2.1344 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0320 0.3506 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9135 -0.0146 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3466 -1.6462 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3915 -0.0396 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6582 -2.4044 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7433 -0.7550 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0814 -2.7257 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1384 -2.2533 -3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8591 -2.2807 -3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1224 -3.6906 -2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1359 -0.7063 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0206 -0.9375 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8444 0.1130 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -0.8823 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 0.8529 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 0.7046 5.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 2.6106 3.2015 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 2 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 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 17 15 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 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 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 56141 1 0 57142 1 0 M END