HMDB0297955 RDKit 3D DG(PGF2alpha/a-21:0/0:0) 132132 0 0 0 0 0 0 0 0999 V2000 -13.8965 1.2421 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4224 0.0326 1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3142 -0.6873 1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2511 -1.1310 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1222 -1.8462 1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0951 -2.2739 0.5310 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0275 -2.9426 1.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6393 -1.1933 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8061 -0.2253 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3241 0.8631 -0.8825 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9113 0.9153 -2.2586 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9932 1.6710 -3.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1714 1.7074 -2.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1376 2.3726 -0.8610 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.4262 3.7354 -0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7234 2.1867 -0.2886 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8492 3.3323 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 3.1532 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3972 3.1510 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9995 2.9742 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 1.8048 -1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 0.4813 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -0.6454 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -0.4049 -2.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6376 -1.9411 -1.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -3.0971 -1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 -3.3712 -1.6003 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3161 -4.7950 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -5.1810 -1.6644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -3.4448 -0.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -2.6846 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 -1.9851 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 -2.7594 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 -2.1639 2.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -2.9862 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 -2.5306 2.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -1.1238 1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 -0.6938 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 0.7049 1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5025 1.2265 2.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6141 0.3627 1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9562 0.9147 2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1008 0.0833 1.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1813 -0.0283 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3677 1.2705 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 1.9951 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8659 1.1483 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 1.9554 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3722 1.2487 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3742 -0.0330 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4984 0.8949 -1.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4538 2.1252 -2.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9509 1.6303 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7045 1.0242 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6343 2.0871 0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8892 -0.6928 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2210 0.3094 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7331 -1.6487 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8652 -0.0458 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9106 -0.2177 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6827 -1.8074 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6732 -1.2572 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 -2.7890 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6038 -3.0475 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2869 -3.8767 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9952 -1.1457 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4412 -0.2505 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2081 0.8909 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9938 -0.0395 -2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 1.1351 -3.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2085 2.5152 -2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0831 1.1071 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8174 1.8401 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2773 3.9280 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8232 2.1393 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2346 4.2216 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9403 3.6217 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 3.0116 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 3.2949 -2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 3.8853 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 2.9617 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 1.9705 -2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 1.8107 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0396 0.3468 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0246 0.4832 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -3.9609 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -3.1375 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 -2.6516 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 -5.5157 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -4.8317 -3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 -4.8347 -2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 -3.7931 2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 -2.2129 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -1.1221 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 -2.1706 3.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 -2.9651 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 -4.0472 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 -2.5085 3.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -3.1922 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 -0.3951 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 -1.0748 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -1.4151 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 -0.7350 3.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 0.7158 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 1.3815 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 2.2741 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 1.2127 3.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -0.6671 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 0.2427 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 1.9786 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 0.8966 3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0384 0.5370 1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0352 -0.9214 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0566 -0.6738 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3063 -0.5354 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5305 1.9712 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4579 1.0467 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 2.2828 0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 2.9136 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8638 0.7843 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8358 0.2682 0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1107 2.9033 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9623 2.2975 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1825 1.9358 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3931 -0.2046 0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1190 -0.8876 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6778 0.0670 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4960 0.4056 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6791 0.2306 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2301 2.0465 -3.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4915 2.2255 -3.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 3.0555 -2.1594 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 1 0 14 16 1 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 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 49 51 1 0 51 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 6 11 69 1 6 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 1 15 74 1 0 16 75 1 1 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 6 28 89 1 0 28 90 1 0 29 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END