HMDB0300030 RDKit 3D DG(i-20:0/PGF2alpha/0:0) 129129 0 0 0 0 0 0 0 0999 V2000 -15.7334 1.2762 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3810 1.4908 1.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9076 0.2600 2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7553 -0.9441 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8027 -0.8513 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3920 -0.5647 0.7607 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2360 0.6279 1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5361 -0.5267 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2419 -0.6201 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2401 -0.6037 -1.4242 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7526 -0.5432 -2.8157 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0268 -1.4760 -3.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3906 0.8200 -3.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7559 1.5608 -2.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7580 2.4429 -2.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2756 0.5725 -1.2520 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8779 0.0453 -1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8656 1.1456 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 1.5263 -2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0324 2.5582 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 3.2942 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 2.6367 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 1.4758 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 1.4645 1.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 0.2155 0.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.9543 1.1260 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7149 -1.9587 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 -2.2585 -0.7717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 -1.5410 2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -1.8379 1.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 -1.0110 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 0.2170 0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -1.5971 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9638 -1.8625 1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -2.4466 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -1.5609 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 -2.3155 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 -2.6547 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -1.4214 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2275 -1.7888 2.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4798 -2.5254 2.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 -1.9711 2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3615 -0.8127 2.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8085 0.5104 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3041 1.3518 1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1899 1.7579 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6048 0.6290 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5095 0.8428 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0388 1.7373 -2.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8199 3.1546 -2.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0435 1.6736 -3.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0104 0.2274 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7762 1.8074 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5509 1.7379 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6234 1.8705 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5138 2.2766 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9720 0.4966 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6294 -0.0182 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7601 -1.3486 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3677 -1.7679 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0729 -0.0622 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7750 -1.8592 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0427 -1.3955 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1957 1.3722 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9894 -0.4188 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8396 -0.7246 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6311 -1.5544 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8016 -0.8111 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2297 -1.1934 -4.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3159 1.3736 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7677 0.7704 -4.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 2.2062 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4758 3.0477 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3556 0.9819 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7744 -0.4357 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6914 -0.6961 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 1.6561 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 0.9495 -3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 3.3561 -2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 2.2034 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6398 3.7727 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 4.2421 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 2.5015 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 3.4524 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2388 -0.7012 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 -2.9443 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 -1.6433 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -1.6654 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -2.4684 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -0.7615 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 -2.5608 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -0.8372 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 -0.9294 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -2.5659 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 -3.4357 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 -2.6078 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 -0.5958 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -1.3908 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 -3.2290 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 -1.5910 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0335 -3.1411 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6457 -3.4097 1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9902 -0.7661 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -0.9172 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2945 -0.9331 3.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 -2.4873 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3145 -3.5644 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7919 -2.8099 3.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -2.8177 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 -1.8826 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.7685 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5450 -1.1478 3.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0568 0.6007 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 1.1380 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3462 1.0294 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9825 2.3776 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5634 2.4463 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 2.3825 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0827 -0.2176 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 0.0802 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 -0.2036 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5228 1.1358 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 1.3317 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3126 3.4377 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7693 3.4921 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3724 3.8220 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8268 2.5592 -4.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8589 0.7644 -4.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0711 1.7407 -3.3381 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 26 29 1 0 29 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 16 10 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 1 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 6 11 68 1 1 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 1 15 73 1 0 16 74 1 1 17 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 1 27 86 1 0 27 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END