HMDB0266406 RDKit 3D PA(PGE2/24:1(15Z)) 142142 0 0 0 0 0 0 0 0999 V2000 -17.1579 -1.4185 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3360 -2.0327 -1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0465 -0.9830 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9423 0.1610 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9564 1.2526 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8681 2.1243 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7155 1.7887 1.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7949 0.6971 1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6484 0.6709 2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4300 0.7977 2.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9053 0.9748 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9658 -0.1641 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7772 -0.2677 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9306 0.9623 1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7488 0.8834 2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8257 -0.2373 1.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1807 -0.3298 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3198 0.8090 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7137 0.6025 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 -0.6532 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -0.5466 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -1.7708 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 -2.1892 -1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -1.1837 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -0.5499 -2.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 -0.8432 -1.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.0947 -1.8901 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1977 -0.3957 -2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -0.6885 -0.7855 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -1.2201 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 -1.4715 -1.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -1.4448 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7172 -2.1525 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9489 -1.5386 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 -0.1976 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 0.0988 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 -0.8917 1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7683 -0.5894 1.2946 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7667 -1.5918 1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2954 -1.7067 2.7688 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0538 -2.4671 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1716 -2.0161 -0.5982 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0904 -2.9272 -0.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -0.6522 -0.2234 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4318 0.4710 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4729 0.3770 -1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1287 1.6235 -2.1746 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3283 2.7346 -1.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5001 1.7863 -1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3762 0.6201 -1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7752 0.7571 -1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 0.8852 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2640 1.0200 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 1.3064 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 0.8987 0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 2.1692 1.3671 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4993 1.5556 2.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 3.0762 1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 3.1351 1.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.1642 -1.2513 -3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5725 -0.4801 -2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5328 -2.0629 -3.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5500 -2.8071 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3153 -2.5140 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1008 -1.5017 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9819 -0.7042 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7634 0.6407 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0324 -0.1901 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3522 0.7977 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8455 1.9561 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2948 3.1582 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4418 2.5295 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0890 1.6840 2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0388 2.7336 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4275 0.8133 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2548 -0.3308 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8912 0.5457 3.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6513 0.7666 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6404 1.0339 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3026 1.9201 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6008 -0.0258 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4937 -1.1404 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1597 -1.1116 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1746 -0.5210 2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5645 1.8035 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 1.2592 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1832 0.7031 3.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2875 1.8761 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -1.2000 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -0.1842 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9446 -0.5945 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 -1.2546 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0405 1.6840 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 1.0895 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 0.5651 -2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 1.4703 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 -1.5775 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 -0.7606 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -0.4484 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 0.3865 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 -2.6317 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 -1.5786 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -3.0778 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 -2.5791 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 0.4442 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 -1.2391 -2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 0.4383 -2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6043 -1.9920 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 -0.4254 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 -3.1622 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -2.3288 2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7718 -1.4370 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -2.2888 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 0.6053 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 1.1377 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6211 -0.7261 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 -1.9398 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.4103 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7385 -3.5029 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1236 -2.4746 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6991 -2.1025 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4064 -2.5453 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 -0.4952 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0732 1.4979 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8401 -0.5996 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2471 1.4191 -3.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3747 3.2745 -2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9664 2.7287 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3959 1.8474 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9780 -0.3377 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4521 0.5618 -3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3086 -0.1981 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3443 1.5544 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2250 1.7821 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4180 -0.0364 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2488 1.2440 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7898 0.0868 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6916 1.8952 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 1.5901 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 2.1672 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 3.2280 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 4.0667 0.9660 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 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 27 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 44 38 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 6 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 6 41119 1 0 41120 1 0 42121 1 6 43122 1 0 44123 1 1 45124 1 0 46125 1 0 47126 1 6 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 58141 1 0 59142 1 0 M END