HMDB0300239 RDKit 3D DG(PGF2alpha/i-21:0/0:0) 132132 0 0 0 0 0 0 0 0999 V2000 -14.0981 -4.3343 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3142 -3.6968 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3811 -2.6061 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6304 -2.0028 1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6632 -0.9285 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2282 0.2772 0.2852 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.8491 -0.0184 -0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2767 1.3553 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0873 1.5053 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2529 2.6402 0.2666 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9029 3.4972 1.5099 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0054 4.1519 1.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8648 4.4410 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3476 3.8281 -0.3286 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0267 4.4256 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8865 2.3935 -0.2547 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7056 1.6746 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2282 0.2954 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4009 -0.7507 -1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -2.1561 -1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0785 -2.9762 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5752 -2.8709 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1439 -1.5381 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 -0.8602 0.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -0.9307 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 0.3684 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 0.9164 -0.3064 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3524 1.1745 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 1.7323 -2.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 0.0478 0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 0.4270 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 1.5311 1.6116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 -0.5323 1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 0.0889 2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 1.2550 1.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 1.2739 1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4657 0.5497 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -0.9391 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 -1.6126 -1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 -1.2255 -2.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2761 -1.5956 -2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0335 -1.1264 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 0.3369 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7426 0.9852 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1249 0.7439 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4732 -0.6368 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9272 -0.6599 1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8344 -0.1752 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 -0.2171 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1841 0.2818 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 1.7003 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0994 -0.6007 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6642 -4.1091 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2018 -5.4187 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1160 -3.8762 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7151 -4.4854 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0101 -3.2942 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9997 -1.8996 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7085 -3.1230 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3146 -1.6422 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0332 -2.8292 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8561 -1.3567 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2268 -0.5730 1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0698 0.7343 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1333 0.8587 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5747 2.1125 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8063 0.7672 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8415 3.3366 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4090 2.8155 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9193 4.2308 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0088 4.6020 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4103 5.4089 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 3.8489 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4535 5.2937 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 1.8871 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 1.6227 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2604 2.1694 -2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2534 0.0079 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 -0.4602 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4618 -2.6421 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8426 -2.3477 -1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 -2.7021 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3127 -4.0698 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 -3.6267 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -3.0450 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 1.0846 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7741 0.3408 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 1.8891 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 1.8556 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4986 0.1970 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 1.0221 -2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.4428 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 -0.8863 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 -0.7463 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 0.3619 3.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 2.0626 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 1.8137 2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6995 2.3893 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 0.9594 1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1436 1.0304 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 0.5729 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 -1.4190 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -0.9893 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 -1.4666 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -2.7367 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -0.1020 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -1.6773 -3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -1.2996 -2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 -2.7475 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 -1.5613 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8453 -1.6835 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 0.5947 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 0.9128 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 2.1193 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 0.6666 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7756 0.9873 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5131 1.5087 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 -1.3588 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -1.0519 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9074 0.0216 2.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1467 -1.7176 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5601 0.8841 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7679 -0.7598 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6191 -1.2387 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3416 0.4198 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2373 0.2333 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6306 1.7601 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7925 2.3522 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0991 2.1826 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1490 -0.5600 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9304 -0.2484 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4057 -1.6314 -0.9570 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 50 51 1 0 50 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 1 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 6 11 69 1 1 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 6 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 1 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 49125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END