HMDB0300269 RDKit 3D DG(5-iso PGF2VI/0:0/i-21:0) 126126 0 0 0 0 0 0 0 0999 V2000 -15.9657 0.9693 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2780 -0.1203 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0341 -1.4976 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5898 -1.7053 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7100 -1.5332 -1.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2720 -1.7436 -1.4542 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4622 -1.5934 -2.5961 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8555 -0.7573 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5915 -0.3165 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9516 0.6429 0.4027 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7828 0.0855 1.1816 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8613 -0.7839 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2657 -0.0779 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9942 0.0834 -0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9397 -0.4201 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 0.7652 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 1.8888 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 0.5869 0.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 1.5205 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 2.6443 0.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7964 3.3766 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 3.6268 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 3.2503 0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4749 2.6957 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 2.4969 -1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 2.3408 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3577 1.5449 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 0.2283 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -0.8720 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -1.5759 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -1.1222 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 0.0109 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1726 0.3598 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1341 -0.7808 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -1.1848 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2128 -0.2026 -1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4013 0.5568 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7132 -0.1246 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8255 -0.9625 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0402 -1.7529 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3734 -1.1140 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8972 -0.6102 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2839 0.0111 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1412 -1.0797 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 0.4874 -1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4998 -0.7361 2.2270 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7051 -0.8762 3.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7787 0.0497 2.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8490 1.1275 1.5119 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2359 2.2745 2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3450 0.6416 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4228 1.7947 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8789 1.4327 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3665 -0.0557 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7359 -0.0122 -2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7168 -1.7449 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2252 -2.2320 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5278 -2.7962 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3181 -1.1484 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9891 -2.3279 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7919 -0.5286 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1327 -2.7573 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7337 -2.2501 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4649 -0.3777 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9917 -0.7247 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5989 1.5678 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2003 0.9315 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1956 -1.2903 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5076 -1.6104 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9988 0.3532 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7142 0.6498 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2409 -1.0584 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 -1.0070 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 1.9051 2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 0.9476 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 2.2900 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 3.9502 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 4.5251 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 4.0044 1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 1.8468 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 3.2869 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 2.1946 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 1.6862 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 0.3682 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 -0.1861 -2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 -1.7140 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -0.6954 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 -2.5617 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -2.1233 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 -0.9689 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 -2.0156 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -0.0951 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 0.9754 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7679 0.4749 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6211 1.3165 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 -0.5782 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -1.6406 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1115 -2.1487 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5735 -1.5188 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4135 -0.6779 -2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3757 0.5232 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 1.4022 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6567 1.1803 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 0.7770 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1220 -0.6181 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7608 -0.2195 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9368 -1.6038 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9006 -2.2809 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1138 -2.6589 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1167 -1.7558 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2436 -0.2294 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1891 -1.4963 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3156 0.0274 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0974 0.8458 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2246 -0.9174 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7608 -2.0543 0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0436 -1.0646 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 1.1947 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8114 0.9091 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7733 -0.3990 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7483 -1.7134 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5753 -1.8354 3.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6519 0.4644 3.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6228 -0.6304 2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8668 1.4186 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5419 2.3558 3.0079 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 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 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 1 0 42 43 1 0 43 44 1 0 43 45 1 0 11 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 49 10 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 1 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 6 11 67 1 1 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 19 74 1 0 19 75 1 0 20 76 1 6 21 77 1 0 22 78 1 0 22 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 6 47122 1 0 48123 1 0 48124 1 0 49125 1 6 50126 1 0 M END