HMDB0298287 RDKit 3D DG(PGE1/a-25:0/0:0) 144144 0 0 0 0 0 0 0 0999 V2000 -14.9203 0.5615 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4287 0.4570 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7029 1.0590 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4810 2.4963 -2.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6787 3.2732 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2209 2.9795 -1.0518 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5216 3.1136 -2.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8387 1.7199 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3818 1.7258 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9818 0.5549 1.6299 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8587 0.5822 2.9068 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3328 1.5096 3.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7650 -0.8175 3.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7350 -1.5942 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1467 -2.7178 1.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0630 -0.7714 1.0485 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8051 -1.5389 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8177 -0.9950 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0793 0.2429 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2093 0.2111 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 -0.8586 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 -0.7488 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 -1.8780 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3542 -2.6989 1.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -2.1190 -0.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3068 -3.2335 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -3.2471 -1.4610 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5248 -4.5807 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -4.6358 -2.6372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 -2.1623 -1.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -1.2281 -2.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 -1.3358 -3.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.1109 -2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 1.1418 -1.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 1.0088 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 0.5633 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 1.4960 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 1.0888 1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -0.2371 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -0.4289 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 0.5024 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 0.3978 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7535 1.3593 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3398 1.0660 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -0.2991 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0846 -0.4973 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6677 -1.8515 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 -2.2651 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 -1.6166 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1784 -0.2146 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6490 0.2089 1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3109 0.0579 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7714 0.5100 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4272 -0.3709 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8715 1.9483 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1824 2.8193 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6001 -0.1363 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9259 0.0870 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0711 1.5276 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4992 0.8330 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5921 -0.6583 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7788 0.4405 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3203 0.7808 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0744 2.7716 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4999 3.0519 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 4.3974 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0789 3.2807 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8101 3.8586 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0476 2.9895 -3.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8989 0.7501 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2908 2.6950 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9502 0.7250 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8701 0.8163 2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6383 2.4145 3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7112 -1.1082 3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8892 -1.0196 4.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8007 -0.8855 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1732 -2.5256 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3837 -1.8782 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3285 -0.8455 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0555 -1.8021 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3531 0.4171 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6661 1.1818 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7307 0.2600 2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6288 1.1877 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6121 -1.8882 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -0.8723 2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 -0.8287 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6467 0.2295 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8934 -3.2716 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -4.1919 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -3.2492 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -5.3725 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 -4.6483 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -4.1894 -3.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 0.1517 -3.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.4304 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 1.9074 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 1.5092 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 2.0329 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 0.3806 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -0.4772 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 0.4732 1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 1.7074 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 2.4807 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 1.8564 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 1.0876 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 -0.3803 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -1.0852 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 -0.4315 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 -1.4659 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 0.2254 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2363 1.5651 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -0.6327 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 0.7398 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 1.3439 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 2.3641 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 1.2540 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1798 1.7989 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -1.0640 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3687 -0.3932 -2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8415 0.2634 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 -0.2829 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0529 -2.0355 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7919 -2.5731 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3214 -2.3938 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 -3.3753 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5808 -1.7189 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6597 -2.2306 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7621 -0.0695 2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 0.5612 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1155 -0.3957 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 1.2836 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 -1.0145 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7701 0.6311 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2738 0.3370 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1955 -1.4299 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5514 -0.2831 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1354 -0.1219 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9575 2.2049 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4804 2.1182 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1122 2.8689 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6417 3.8331 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3055 2.3793 -1.6091 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 16 10 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 1 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 1 11 73 1 6 12 74 1 0 13 75 1 0 13 76 1 0 16 77 1 6 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 6 28 93 1 0 28 94 1 0 29 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 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 54137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 M END