HMDB0114832 RDKit 3D PA(15:0/24:1(15Z)) 132131 0 0 0 0 0 0 0 0999 V2000 16.1349 -0.8646 -2.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 -1.1197 -2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8925 0.1586 -2.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 0.8688 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9384 0.0250 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 -0.3452 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 0.8875 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 0.5142 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8261 -0.3061 1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 -0.0940 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0608 0.9774 2.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 2.0965 1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 1.7219 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6861 2.9618 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 2.8880 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 2.3045 -1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 0.9111 -1.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 -0.0819 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 -1.4213 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0044 -2.4859 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -2.3517 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -2.2437 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -1.1030 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -1.2699 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -2.2952 1.2731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 -0.3061 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 -0.5363 0.7311 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5836 -0.3668 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9067 -0.7069 0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 -2.0247 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 -2.8670 0.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4441 -2.4941 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4922 -2.5198 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8139 -1.1451 -0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3312 -0.2436 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5678 -0.7841 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6792 -0.8914 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9450 -1.4675 0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5437 -0.7634 1.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9367 0.6526 1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9307 1.1495 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6210 1.0811 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8065 1.6945 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4511 1.6277 -2.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2037 0.2425 -3.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 0.4380 1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 0.2596 2.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6567 1.3870 3.4718 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9757 0.9685 4.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 1.6374 3.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 2.8397 2.9695 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3286 -0.0132 -3.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5872 -1.8046 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4544 -0.7063 -1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4582 -1.8379 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 -1.6152 -3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2291 0.8383 -3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8108 0.0604 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7218 1.8223 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3281 1.0765 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1627 0.6427 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6096 -0.8522 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1501 -1.0195 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -0.9023 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 1.4857 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9219 1.5394 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 1.4381 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 -0.1202 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4047 -1.2966 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9596 -0.9561 3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1819 1.3521 3.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 0.4345 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 2.8391 1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 2.7645 2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 1.3421 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4106 0.8920 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 3.6542 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6665 3.5623 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8455 2.3398 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 3.9492 -2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 2.7474 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 2.8954 -2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 0.9078 -2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 0.4223 -2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 0.1746 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -0.2982 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 -1.2225 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 -1.6895 -2.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 -3.5105 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1251 -2.5959 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 -3.2473 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -1.5065 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -2.1917 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -3.2387 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -1.0270 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4589 -0.1592 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 -1.5266 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 0.6173 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3192 -1.1704 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3575 -3.5228 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7068 -1.8455 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 -3.1106 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3852 -3.0669 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5657 -1.2259 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8869 -0.7060 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5582 0.0038 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 0.7226 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8505 -0.0145 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3013 -1.7478 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3719 -1.5480 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8551 0.1169 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6532 -2.5522 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6570 -1.6810 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9834 -0.9463 2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5212 -1.3363 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9926 1.2958 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2879 1.0201 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8752 0.5120 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3308 2.1753 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4590 0.0883 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7102 1.7082 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8623 2.7539 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7234 1.1237 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4927 2.2006 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1960 2.1473 -3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8127 -0.5433 -3.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1210 -0.0141 -3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4757 0.2474 -4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 1.4554 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 0.2650 2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6735 2.0130 2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0819 3.5703 3.6384 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 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 1 0 21 22 1 0 22 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 2 0 30 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 27 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 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 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 27 97 1 1 28 98 1 0 28 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 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 50131 1 0 51132 1 0 M END