HMDB0296916 RDKit 3D DG(PGF2alpha/2:0/0:0) 75 75 0 0 0 0 0 0 0 0999 V2000 -9.7555 -1.0423 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6053 0.2598 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9887 1.3511 -1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 1.0387 -1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7271 0.7982 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2872 0.4693 -1.0572 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2237 -0.6702 -1.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 0.1903 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 0.4235 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 0.2068 1.6139 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1995 -0.1998 2.8466 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3894 0.8562 3.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 -1.2461 3.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -1.9411 2.2022 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8862 -2.9332 2.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 -0.7781 1.3648 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0547 -0.1679 1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 -0.9976 1.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -0.6337 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 -1.4970 0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 -1.8203 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 -0.6033 -1.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 0.1461 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 0.7323 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 0.1788 -1.9966 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.7341 -1.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1903 0.1774 -0.9021 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8216 0.3592 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 1.6824 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 0.9500 -1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5827 0.3431 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7724 1.2321 -1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6242 -0.8970 -1.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7523 -1.4575 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2488 -1.7518 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3691 -0.9397 -2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1198 0.0811 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6518 0.6146 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9529 2.2658 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6679 1.5416 -2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2716 1.8705 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 0.1247 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1446 -0.0381 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6795 1.6766 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 1.3263 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0956 -0.4503 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 -0.2046 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 0.8315 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 1.2105 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 -0.7565 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 1.1624 3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.6983 3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.9308 4.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 -2.3402 1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -3.6779 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 -1.0175 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.7682 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.2416 2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.9560 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 0.3181 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -1.1161 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 -2.5122 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4557 -2.4237 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -2.4723 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 0.0623 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -0.9320 -2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0969 1.8544 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6763 0.7463 -2.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4622 -0.8827 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7223 0.0595 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 -0.2807 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 2.1839 0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6899 1.6536 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7099 0.6466 -1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7026 2.0620 -0.9577 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 1 0 31 33 2 0 16 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 6 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 1 11 50 1 6 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 6 15 55 1 0 16 56 1 6 17 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 26 67 1 0 26 68 1 0 27 69 1 6 28 70 1 0 28 71 1 0 29 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 M END