HMDB0296319 RDKit 3D DG(20:0/5-iso PGF2VI/0:0) 123123 0 0 0 0 0 0 0 0999 V2000 -12.5357 -2.6288 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2589 -1.2978 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2878 -0.2529 1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9330 1.0969 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0801 2.1941 2.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0281 2.8457 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9276 2.1950 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3102 1.5429 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0835 0.8667 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -0.1893 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4101 -1.0237 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1427 -0.4867 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1516 0.3354 -2.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 0.8181 -3.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0303 1.7775 -2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 1.4911 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 0.2364 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 -0.0038 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 1.1398 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 1.1999 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 2.3126 -0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 0.0771 -0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.1579 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 0.1521 -0.4477 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0776 1.5476 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 2.4756 -1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7374 -0.2828 -1.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5102 -1.4224 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 -2.0853 -0.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4855 -1.8932 -2.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -3.2665 -1.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1136 -3.7044 -1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3065 -2.8649 -1.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 -2.8266 -0.5437 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6265 -4.2882 -0.2535 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8686 -4.1230 0.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6669 -4.8473 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7027 -3.7288 1.1400 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5716 -3.7683 2.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -2.5188 0.7578 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9776 -1.2389 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 -0.1742 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 1.1051 0.8261 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2499 2.0484 -0.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0505 1.5984 2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4892 1.8782 1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7735 2.9145 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2939 3.0489 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6810 4.0876 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4459 -2.4199 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7598 -3.1276 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8652 -3.2283 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5257 -1.0702 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1859 -1.3399 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0699 -0.5395 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3572 -0.3219 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8033 0.9954 2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4384 1.2813 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6518 1.8884 3.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7730 3.0601 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5104 3.5665 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4944 3.6158 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1842 3.0115 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3250 1.5168 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1167 0.8481 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 2.4192 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4102 0.5202 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3798 1.7667 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 0.2760 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3302 -0.8878 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 -1.8261 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8443 -1.7252 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4933 -1.4190 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5835 -0.0054 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8555 1.1904 -2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5938 -0.3088 -3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 -0.0983 -3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 1.2944 -4.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 2.7603 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 1.9972 -3.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8078 2.3880 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 1.6036 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 0.3796 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -0.6420 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 -0.0720 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 -0.9460 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 0.9707 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 2.1141 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -1.2634 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 0.3719 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -0.5158 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 1.5393 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 1.8523 0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 2.3603 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 -1.8704 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 -1.1638 -2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 -4.0594 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 -4.7782 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 -1.8630 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9975 -3.3536 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0178 -2.1907 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 -4.8412 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -4.1307 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2385 -5.1928 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 -5.7304 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 -3.7921 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -2.9267 2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4597 -2.6751 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5156 -1.1200 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3621 -0.1711 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 0.8822 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 1.6462 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5672 2.5421 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 0.8810 2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9984 2.2003 2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9616 0.9125 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 2.6672 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 3.9111 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 3.3818 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7072 2.0742 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7753 3.5812 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8899 4.8622 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6409 4.5748 -0.1537 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 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 40 34 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 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 23 89 1 0 23 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 6 35102 1 6 36103 1 0 37104 1 0 37105 1 0 38106 1 6 39107 1 0 40108 1 1 41109 1 0 42110 1 0 43111 1 1 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END