HMDB0266058 RDKit 3D PA(PGE1/22:5(4Z,7Z,10Z,13Z,16Z)) 130130 0 0 0 0 0 0 0 0999 V2000 17.2752 2.6268 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 1.8118 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9349 1.9285 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8652 1.1567 1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5618 1.3627 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4557 0.6485 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7502 -0.3032 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9543 -0.7907 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0085 -0.7089 -1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8566 -0.1602 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.5552 -0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 -0.1906 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 0.2977 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 1.6913 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 2.3169 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 2.8336 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 2.8599 -0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 2.1430 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 1.1098 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 0.5428 -2.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -0.8985 -2.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -1.6970 -2.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -2.4453 -3.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3357 -1.7003 -1.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -2.5279 -1.5157 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0169 -1.6473 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 -0.8126 -0.5654 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 0.0690 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 0.0477 -1.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 0.9889 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5502 0.4404 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -0.6472 2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3536 -1.8774 1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 -2.9697 1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7542 -2.5467 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1596 -2.2121 0.3216 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9706 -3.4006 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9176 -3.8568 -0.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3162 -3.9721 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 -2.6891 -0.9610 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4872 -2.9046 -1.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6654 -1.9938 0.2906 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0262 -0.5447 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7121 -0.0197 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1210 1.4434 -0.6915 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4855 1.3747 -0.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7526 2.0621 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9710 3.4769 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2594 4.1463 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1506 4.2296 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5018 4.8596 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -3.4207 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -4.2441 -0.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -5.2563 1.1607 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8103 -4.6861 2.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -6.8112 0.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 -5.3433 1.6359 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2498 2.7212 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8390 3.6170 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3912 2.1171 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5864 0.7486 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1623 2.2203 2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0675 1.5154 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6554 2.9882 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0926 0.0765 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7685 1.5020 2.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3138 2.4678 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8003 1.1318 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 0.9408 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 -0.7480 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -1.9368 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9794 -0.4403 -0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3227 -1.2097 -2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.2178 -2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 1.5839 -0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7899 0.7234 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0779 -1.2434 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -0.3384 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 1.6414 -1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4073 2.3220 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 2.3506 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 3.2844 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 2.7149 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 3.9825 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 2.5397 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 0.6273 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 0.4519 -3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 1.1578 -2.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -0.9721 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2404 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -3.1168 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9072 -2.3229 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -1.0559 -2.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6849 1.4041 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 1.9095 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7176 1.2553 2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 0.1300 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -0.9297 3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 -0.2608 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 -1.6789 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 -2.3185 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 -3.8797 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 -3.2274 2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3946 -3.3908 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9851 -1.7114 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6264 -1.3063 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 -4.4216 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7148 -4.6155 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8079 -2.1935 -1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9461 -2.5358 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1549 -2.5077 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6932 0.0120 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0128 -0.6425 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5467 1.8426 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8795 0.7703 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6126 1.9027 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1279 1.3880 1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4625 3.6520 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2279 4.1088 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0626 5.2405 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8473 3.7967 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8116 3.3905 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9550 5.0528 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2137 5.8871 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6906 4.2591 -1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2850 4.9352 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 -2.8302 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 -4.0679 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 -6.8560 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 -5.8921 1.0092 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 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 2 0 28 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 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 42 36 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 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 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 6 39107 1 0 39108 1 0 40109 1 6 41110 1 0 42111 1 1 43112 1 0 44113 1 0 45114 1 6 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 56129 1 0 57130 1 0 M END