HMDB0284846 RDKit 3D PE(DiMe(11,5)/PGE1) 143144 0 0 0 0 0 0 0 0999 V2000 16.3279 -1.7405 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8457 -0.8575 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1616 0.4209 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 0.4523 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7703 -0.1385 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4029 0.0283 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 0.9228 -0.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4454 0.7884 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2733 1.6725 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 1.1064 -0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 -0.1971 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5081 -0.5219 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 -1.7386 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -2.0223 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -1.0787 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 0.2353 1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 1.2330 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 1.0000 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 0.0815 2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 -1.1116 2.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 0.7302 1.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 0.2002 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 -0.7215 0.2907 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5951 0.1615 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 1.2940 -1.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9047 2.2965 -2.2866 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3067 1.7314 -3.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 2.6461 -3.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 3.7546 -1.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 3.5098 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 4.7960 -0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 5.3178 0.7156 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3687 -1.0720 0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 -2.3477 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 -3.1874 -0.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -2.5594 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -2.0170 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 -0.5509 -2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 0.3505 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5815 0.4779 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4442 -0.6852 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9115 -0.2393 -0.9113 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6755 -1.5230 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3546 -2.0536 -1.4985 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3759 -1.8935 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2057 -0.5560 1.4190 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9546 -0.5062 2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2815 0.4909 0.3708 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6303 1.0639 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7176 0.7670 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0206 1.4224 0.4193 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.2671 1.3234 -0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0928 0.7329 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1535 -0.7181 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5009 -1.0885 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8875 -0.5660 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9469 -1.1676 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6425 -0.2709 1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -0.8114 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9012 -0.7673 0.9567 C 0 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 11.8330 -2.7725 1.7106 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 48 42 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 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 22 93 1 0 22 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 6 45118 1 0 45119 1 0 46120 1 1 47121 1 0 48122 1 1 49123 1 0 50124 1 0 51125 1 1 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M END