HMDB0285158 RDKit 3D PE(DiMe(9,5)/PGE1) 137138 0 0 0 0 0 0 0 0999 V2000 13.8736 1.5773 1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4262 1.7308 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0308 1.4667 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9069 2.2013 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3637 2.0798 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 0.7127 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4546 0.4639 1.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1942 -0.7837 1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8569 -1.4281 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2134 -1.7470 2.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 -0.6229 3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9438 0.4003 3.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6203 -0.2744 2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 -0.9595 3.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 -1.6842 3.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 -0.9660 3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 -0.2629 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 0.9036 1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 -0.7687 0.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 0.0160 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 0.0163 -1.2189 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1148 0.8192 -2.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 0.4604 -3.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 1.3381 -4.7397 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2352 1.2845 -5.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 2.9758 -4.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 0.7700 -5.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -0.5576 -6.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -0.9522 -7.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -0.0849 -8.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 0.4166 -0.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -0.4875 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -1.6270 -0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2206 -0.3211 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 0.4815 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 0.0519 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -1.3572 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9603 -1.7042 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 -0.9774 -3.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4533 -1.1516 -2.6323 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9199 -2.5951 -2.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5095 -3.4173 -3.5139 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9858 -2.7934 -1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2710 -1.3750 -1.2124 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7803 -1.3677 0.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7956 -0.8568 -1.2450 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7520 0.5291 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9742 0.8693 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8835 2.2730 0.7684 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1760 3.0700 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3148 2.7855 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0430 1.8602 1.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4401 2.3819 2.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2371 1.4962 3.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6136 1.4071 4.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 -1.4440 1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 -2.8784 2.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 -0.4451 1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7340 -0.7487 2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 2.1957 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1565 0.5295 1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 1.9935 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1384 1.0538 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6967 2.7684 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0506 1.6365 -1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8740 0.3365 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1284 3.3182 -0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0114 1.9644 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0510 2.2841 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5275 2.8468 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -0.7225 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 -2.3384 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -2.5596 3.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2307 -2.2528 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 -0.9421 4.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8515 -0.0477 3.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 1.2116 3.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 0.8435 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 0.5321 2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -0.9790 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -1.7092 4.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 -0.2306 4.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 -2.2279 4.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 -2.5782 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -0.2320 3.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.7323 2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 1.0226 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 -0.5270 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -1.0546 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 1.8798 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 0.6331 -3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 3.5590 -4.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.6625 -6.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 -1.2055 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -0.8040 -6.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8969 -1.9829 -7.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 -0.5462 -9.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 0.1691 -8.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 0.2279 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 -1.3086 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 1.5426 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 0.5283 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0492 0.1594 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7206 0.7364 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -2.0404 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0541 -1.5160 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -2.8034 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1122 -1.7420 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 0.1366 -3.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2027 -1.2641 -4.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1612 -0.5646 -3.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 -3.4223 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8856 -3.2866 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8654 -0.8758 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7642 -1.2597 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3204 -1.5410 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3404 1.2981 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4086 0.0694 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3913 2.2481 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 4.0210 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8386 2.8833 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2333 3.7828 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0534 0.8549 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4648 1.8838 2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9367 2.3360 1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3716 3.3881 2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4292 0.4993 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2175 1.9956 3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3235 1.6628 5.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2882 0.3395 4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7531 2.0768 4.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 -3.1398 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 -3.0925 3.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9944 -3.5488 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3160 -0.9491 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1633 0.0615 2.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7637 -1.6633 2.9706 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 1 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 2 0 17 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 46 40 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 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 0 20 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 6 43112 1 0 43113 1 0 44114 1 6 45115 1 0 46116 1 1 47117 1 0 48118 1 0 49119 1 1 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 59135 1 0 59136 1 0 59137 1 0 M END