HMDB0284950 RDKit 3D PE(DiMe(13,5)/PGE1) 149150 0 0 0 0 0 0 0 0999 V2000 -15.3243 0.8857 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2665 1.9845 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9723 3.2340 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9390 4.1700 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5028 4.0843 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7580 3.0006 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3649 2.9233 1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6997 1.8001 1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1251 1.3875 2.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7479 1.6950 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5834 1.2787 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3486 1.8710 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2179 1.4231 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1079 0.0788 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0957 -1.1043 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0619 -1.1815 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 -1.2329 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 -1.2994 1.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 -1.4101 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 -0.2812 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.6014 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.1203 -0.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -1.6803 0.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -2.1518 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 -2.5576 -0.6228 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0012 -3.6184 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 -4.7012 -0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -5.9754 -0.8154 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7142 -6.6481 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -5.3572 -1.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -7.1444 -1.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -7.0206 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 -8.0733 -2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -7.8313 -1.9907 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -3.0800 -0.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3806 -2.6018 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -1.6175 -2.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 -3.3525 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 -2.9364 -1.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 -1.6747 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8346 -0.3849 -1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7813 0.8085 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 0.8099 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 1.9861 0.2210 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5793 3.2929 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5165 3.5535 -0.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 4.2508 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0569 3.4659 1.9310 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2696 3.7721 3.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 2.0165 1.5672 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2397 1.3529 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8281 0.7278 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1235 0.0599 0.8370 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2926 -0.8848 -0.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3329 0.9037 0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6174 1.7774 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6291 2.8733 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5881 3.8440 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9894 4.4249 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6765 1.1095 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 24100 1 0 25101 1 6 26102 1 0 26103 1 0 30104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 6 47124 1 0 47125 1 0 48126 1 1 49127 1 0 50128 1 1 51129 1 0 52130 1 0 53131 1 1 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 61144 1 0 61145 1 0 61146 1 0 63147 1 0 63148 1 0 63149 1 0 M END