HMDB0007129 RDKit 3D DG(16:1(9Z)/18:0/0:0) 112111 0 0 0 0 0 0 0 0999 V2000 -16.1753 -0.3936 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4037 1.0784 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3526 1.9729 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0084 1.9216 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3168 0.6121 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9077 0.6984 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0905 1.6888 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9443 1.3744 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3533 0.0432 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9766 -0.0402 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0806 0.3195 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8342 0.2426 1.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6836 1.0939 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9693 1.0997 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4256 -0.2436 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5293 -0.8344 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -1.8006 1.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -0.4018 0.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -1.0358 1.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 -0.3492 2.0318 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4334 1.1328 2.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 1.5627 1.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.4578 0.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -0.9425 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 -1.2486 1.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 -1.0323 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 -1.6331 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -3.0315 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -3.5489 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1543 -3.5131 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -4.1018 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 -3.3798 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5028 -1.9368 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3658 -1.7510 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6891 -0.2995 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4162 0.2762 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8044 1.7329 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 1.9840 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0001 1.2662 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9502 1.5616 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5702 2.8968 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6225 4.0147 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9845 -0.9055 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1613 -0.8444 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4434 -0.6874 -1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5261 1.3375 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3825 1.3807 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6842 3.0662 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2531 1.7875 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1241 2.2067 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3537 2.7697 -0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1751 0.2122 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8313 -0.1426 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5430 -0.3326 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0494 1.0786 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3661 2.7488 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3773 2.1796 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1084 -0.1493 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0086 -0.7895 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2219 0.4480 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7397 -1.1462 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5959 1.3231 1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8686 -0.3883 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1291 0.4361 2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4645 -0.8349 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8916 0.8275 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8764 2.1881 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3977 1.6276 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 1.7009 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -0.0230 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2231 -0.9436 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 -1.0379 2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 -2.1093 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 -0.6995 2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 1.1604 3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 1.7342 2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 1.7826 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -1.7357 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -0.0667 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -1.0035 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -1.6099 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -3.7123 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 -3.1204 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -2.8459 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 -4.5698 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 -4.1058 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 -2.4766 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0632 -4.1388 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3412 -5.1395 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 -3.8748 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6314 -3.4834 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5541 -1.3450 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0216 -1.5625 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -2.2282 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 -2.2840 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2222 -0.2387 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7346 0.2842 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6704 0.2928 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2450 -0.3596 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 2.0799 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8523 2.2751 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 1.5623 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7439 3.0550 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8409 0.1460 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 1.4124 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 0.7860 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4846 1.2877 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3352 3.0823 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2166 2.8871 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6821 3.7757 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0698 4.8382 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4102 4.5772 -0.8100 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 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 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 19 72 1 0 19 73 1 0 20 74 1 1 21 75 1 0 21 76 1 0 22 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 M END