HMDB0115426 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) 143142 0 0 0 0 0 0 0 0999 V2000 -15.6660 -2.9760 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1040 -1.9334 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0344 -2.6414 2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8058 -2.2565 2.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2072 -1.0560 1.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5478 -0.2729 2.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7666 0.9290 3.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7125 1.9231 2.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6909 1.6453 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8351 2.1922 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9358 3.2690 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3476 2.7365 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0957 2.5356 -1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0028 2.8005 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0983 3.7547 -1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8575 3.4710 -1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2607 2.1653 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 1.5725 -2.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 0.4553 -2.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2743 -0.3728 -2.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7347 -1.7713 -2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4277 -1.7450 -1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -2.8786 -1.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7619 -0.6422 -1.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 -0.5454 -0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -0.7526 -1.3459 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 -1.9864 -2.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -1.9362 -3.0459 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -3.3670 -3.9643 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1232 -4.5449 -3.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -3.4909 -4.8969 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 -3.3694 -4.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 -0.7015 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1649 0.2243 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 1.0685 -1.7929 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 0.1675 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.1965 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 1.4408 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 0.3892 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -0.6974 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 -1.8099 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6047 -1.7066 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 -1.2248 2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 0.1741 2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 1.1475 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2887 0.7795 1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 1.7518 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4358 1.4126 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 0.0702 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8692 -0.4758 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8941 -0.7038 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 0.3559 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1201 1.4925 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2818 1.0969 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3725 0.4115 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5027 0.0756 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0561 -0.8472 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5015 -2.1471 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7522 -3.3001 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3188 -2.4002 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1499 -3.7924 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7239 -1.1379 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9135 -1.6524 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3023 -3.5550 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0768 -2.8762 2.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8275 -0.5092 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3825 -1.5008 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7183 -0.8404 3.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0867 1.2800 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1631 2.8791 2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2459 2.2849 3.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4667 0.8901 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6493 1.8674 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6225 4.1076 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2905 3.6417 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0516 2.5038 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7638 2.1312 -2.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4327 3.1972 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6209 1.8192 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4853 4.7329 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1864 4.2113 -1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 1.5274 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2519 2.4300 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1056 2.1469 -3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9250 0.0969 -3.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5305 -0.0399 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1925 -0.3733 -2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5024 -2.3443 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 -2.1930 -3.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -1.1975 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4199 0.5167 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 0.1039 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -2.9346 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -2.0682 -2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -2.5994 -5.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -2.4965 -5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 0.3268 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -0.8560 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 1.0816 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.1902 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 1.9193 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 2.3086 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -0.1198 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 0.8753 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -0.2836 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -1.1266 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -2.6228 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -2.3077 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0284 -2.7698 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0692 -1.1925 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -1.6129 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6544 -1.8283 3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 0.2505 3.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 0.5898 3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3508 1.3009 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8155 2.1314 2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -0.2645 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 0.8481 2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8299 2.7686 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4608 1.6715 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7864 2.1819 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8813 1.5843 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9793 -0.7178 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 0.1068 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -1.5032 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 0.0591 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 -1.5182 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7659 -1.2804 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8166 0.7086 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3481 -0.1017 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5829 2.1506 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4064 2.1552 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9406 0.4533 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7202 2.0005 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8100 1.0461 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0563 -0.5494 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3001 -0.4659 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9551 0.9832 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3159 -0.3706 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9410 -1.0706 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4210 -2.2484 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5945 -2.2895 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0559 -3.0012 -1.3655 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 2 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 26 33 1 0 33 34 1 0 34 35 2 0 34 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 32 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 58143 1 0 M END