HMDB0009668 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 15.3322 6.1510 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1866 4.9958 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4319 4.0627 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0862 2.8013 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3723 2.1585 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1511 1.0321 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6935 -0.1813 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3559 -0.6284 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -1.2701 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4127 -0.8616 1.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7450 0.3225 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5094 1.3435 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 1.8261 2.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 1.5094 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 0.4704 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 0.6714 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 1.9518 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 2.0206 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 1.7583 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 0.4130 1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 -0.7240 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 -0.5716 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 0.3131 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -1.3756 -1.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 -1.2684 -2.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8603 -1.6044 -0.9518 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1530 -3.0216 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 -3.1257 -0.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 -4.7109 0.4893 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5755 -5.0535 1.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 -4.8883 1.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 -5.7214 -0.8645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -6.8472 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -7.7927 -1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 -8.9424 -1.3604 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 -1.4961 -1.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -0.7011 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.1241 0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -0.5528 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5399 0.1982 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5592 -0.5343 1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 -1.8680 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -2.0647 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -1.6534 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7004 -1.9889 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4917 -1.3320 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9757 -1.6517 0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5487 -1.1522 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0470 -1.4826 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7459 -0.8668 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7008 0.0364 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2094 0.5698 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6543 0.2717 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5324 1.2333 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1996 2.6678 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8794 3.3933 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5874 4.8542 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0205 5.6018 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4952 5.5177 -1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2919 5.9778 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3119 6.1049 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7114 7.1210 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6707 4.6414 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 5.4916 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9671 4.4601 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3397 2.2058 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.8864 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3805 1.8659 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1325 1.2669 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2933 -1.0208 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 0.0287 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6605 -1.5241 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0419 -2.1778 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9169 -1.4322 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3980 0.7835 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 -0.0055 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 1.7517 2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 2.6234 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4496 2.4418 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5004 1.1702 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0429 -0.6070 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -0.2581 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 2.1469 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9278 2.8354 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 3.0754 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 1.3858 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2992 2.1038 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 2.4923 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1363 0.2428 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 0.4277 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0975 -1.6577 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -0.8782 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7503 -0.2656 -2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 -2.0275 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 -0.9617 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 -3.7579 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 -3.2201 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -4.5771 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -7.3827 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -6.4677 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -8.0755 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -7.3189 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3268 -9.0487 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -8.8200 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 0.1088 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -1.5551 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 1.0733 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 0.7320 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 0.1553 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5168 -0.6279 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6416 -2.5579 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8477 -2.3299 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 -1.5009 2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 -3.1694 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7496 -2.2728 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1695 -0.5703 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0027 -1.5401 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7606 -3.0821 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1209 -1.6547 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3706 -0.2313 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4506 -1.2686 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0596 -2.7639 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4815 -0.0686 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0314 -1.6169 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0819 -2.6087 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3172 -1.1627 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4532 -1.1900 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1199 0.3956 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6174 0.2160 -1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0209 1.6496 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0012 -0.7899 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5902 0.8936 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1905 2.9621 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7827 3.0662 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9546 3.2109 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4951 2.9527 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1524 5.2730 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5187 5.0732 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7796 6.6860 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4168 5.3192 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0191 6.4043 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9927 4.6332 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6870 5.6217 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 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 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 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 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 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M END