HMDB0264640 RDKit 3D PA(20:0/PGE2) 132132 0 0 0 0 0 0 0 0999 V2000 3.8492 3.2798 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 2.6883 2.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 1.1813 2.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 0.6648 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -0.8609 0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 -1.1913 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 -2.6828 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -2.7589 -1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -4.0390 -1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -5.2451 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -6.1087 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 -6.7982 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 -5.8700 -0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -6.3445 -1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -6.8120 -2.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 -5.6321 -3.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -4.3993 -3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 -3.2213 -4.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -1.9361 -3.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -0.7354 -4.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -0.9037 -4.9232 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 0.4875 -3.6378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 1.7259 -3.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 2.0091 -3.1376 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4988 1.4286 -3.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 1.9355 -3.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 1.3713 -4.0412 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7937 1.1274 -5.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3314 2.5039 -3.9488 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 -0.0182 -3.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 3.4371 -3.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 4.0951 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5547 3.3745 -0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 5.5749 -1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 6.1378 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 5.7171 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 6.0119 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 5.1824 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6564 3.7520 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 3.2887 1.9420 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8392 3.5515 1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 4.5541 1.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5576 2.3460 2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 1.2191 2.0159 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7821 0.8226 0.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 1.8469 2.2411 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7453 1.5922 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6032 0.9583 3.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 0.6201 5.0718 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6967 1.2798 6.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 -0.8467 5.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 -1.2362 6.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -0.9335 6.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -1.6839 5.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2341 -1.4343 5.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 3.0134 4.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 4.3965 2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 2.9606 2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 3.1472 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 2.9518 2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 0.7766 3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 0.9949 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.0395 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 0.9871 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -1.1107 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 -1.3893 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -0.6384 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -0.9204 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -3.3191 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 -2.9802 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -2.3251 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 -2.0191 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -4.1906 -2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1944 -3.7974 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 -4.9373 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -5.9408 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -6.9095 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 -5.5428 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -7.3665 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 -7.5907 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 -5.2687 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 -5.0702 -1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -7.2492 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -5.6437 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 -6.9555 -3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 -7.7302 -2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -5.8931 -4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 -5.4599 -3.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -4.0882 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 -4.4610 -3.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -3.4216 -5.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2893 -3.2496 -3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -1.9040 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.8733 -2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 2.4546 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 2.0664 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 1.6155 -2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 1.8006 -4.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 0.3284 -3.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 3.1366 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 -0.1480 -3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 5.9832 -2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 5.8164 -2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 7.2676 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 5.9810 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 6.3517 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 4.6940 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 7.0866 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 5.5917 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 3.1334 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 3.4481 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 3.8393 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5273 2.1830 1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6296 2.3354 3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 0.3407 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4198 0.0469 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4733 1.4593 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2815 1.8998 4.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 0.6429 2.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 0.9883 5.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 0.8230 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 -1.0835 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -1.4899 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 -2.3435 6.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -0.7862 7.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4141 -1.2483 7.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 0.1352 6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -1.3528 4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -2.7746 5.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 -2.2193 6.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.4485 6.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -1.5059 4.5711 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 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 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 2 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 46 40 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 30101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 1 43113 1 0 43114 1 0 44115 1 1 45116 1 0 46117 1 6 47118 1 0 48119 1 0 49120 1 6 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 55132 1 0 M END