HMDB0298157 RDKit 3D DG(PGD2/0:0/a-25:0) 142142 0 0 0 0 0 0 0 0999 V2000 -17.7492 2.1323 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5250 0.8762 -0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5650 0.4936 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5223 -0.0200 1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1937 0.4969 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0617 0.4222 0.9695 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.0876 0.9815 -0.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6271 -1.0276 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6418 -1.4235 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1854 -2.7998 0.0255 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3409 -3.3158 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1462 -2.8816 -2.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3501 -4.4048 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7234 -4.5916 -0.2167 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.5935 -5.4137 0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7801 -3.1364 0.2926 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2345 -3.0058 1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2882 -1.6178 2.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2428 -0.9008 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8811 -1.4107 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9425 -0.6703 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 0.7798 1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8069 1.3544 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7511 2.5783 0.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9696 0.5103 0.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 0.7685 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 1.6376 -0.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2963 2.9238 0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 1.0745 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 1.9262 1.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 1.9158 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1086 1.1262 -0.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 2.8184 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 2.3768 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 0.9808 -0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.5026 -1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 1.3035 -2.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 1.4518 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 2.2770 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 2.4785 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 1.2546 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 0.4263 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 -0.7743 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 -0.4209 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1588 0.4187 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2918 0.8274 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1314 -0.2302 1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8306 -1.1436 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7474 -0.3768 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4126 -1.3676 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2761 -2.3714 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4353 -1.9887 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5148 -1.2267 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6193 -1.1134 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1619 0.2104 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3382 0.9299 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4487 2.9852 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2313 2.4711 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0523 1.9434 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1534 0.0520 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5602 1.0678 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0338 1.3885 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4774 -0.2555 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4058 -1.1545 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0396 -0.3000 2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8252 -0.1190 2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2700 1.5589 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1395 0.8803 1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7924 1.9166 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1167 -1.7287 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1761 -0.6602 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8264 -3.5083 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9049 -5.3195 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5375 -4.1151 -2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6991 -4.9531 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1638 -5.9796 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0698 -2.6005 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2653 -3.5233 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9367 -3.6558 2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2527 -1.1419 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4176 0.1477 2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7321 -2.4716 2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4320 -1.2270 3.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2207 -0.7819 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9479 -1.1482 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7493 1.3381 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 1.0163 2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 1.2447 -1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5302 -0.2177 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 1.7366 -1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 3.5674 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 1.0594 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 0.0646 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 3.8367 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 2.8136 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 3.1062 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 2.3550 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 0.2352 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 1.0375 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 0.4149 -2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -0.5250 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 2.3215 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 0.7585 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 1.9832 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 0.4608 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4185 1.6966 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6209 3.2628 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 3.0236 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7618 3.1634 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 1.5482 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 0.6514 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8327 1.0333 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.0052 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2257 -1.3925 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3318 -1.3675 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5274 -1.3649 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6938 0.1233 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7694 1.3352 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -0.1766 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8896 1.4678 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9537 1.4977 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5988 -0.8218 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9469 0.2992 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1639 -1.7389 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5249 -1.7776 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4122 0.3051 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 0.2393 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8726 -0.8890 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5146 -2.0007 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6807 -3.1123 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5906 -3.0785 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0164 -1.3924 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8634 -2.8920 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9994 -1.7438 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1297 -0.4580 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8145 -2.1225 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4808 -0.5778 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2924 0.4425 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0095 0.7002 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9265 1.4932 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9288 1.5487 -2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9401 0.1153 -2.0777 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 2 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 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 16 10 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 1 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 1 13 73 1 0 13 74 1 0 14 75 1 6 15 76 1 0 16 77 1 6 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 6 28 91 1 0 29 92 1 0 29 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 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END