HMDB0294668 RDKit 3D DG(PGD2/0:0/12:0) 103103 0 0 0 0 0 0 0 0999 V2000 -11.7521 2.0953 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1503 2.0694 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8947 0.8107 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4380 -0.4029 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0381 -0.8391 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7078 -2.1152 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4546 -2.7808 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1357 -2.1448 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8167 -1.0206 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4082 -0.4826 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 -1.5185 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0065 -0.8972 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9646 0.2915 0.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8802 -1.6351 -0.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -1.4055 0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -0.9514 1.4548 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5569 0.3017 1.7916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 -1.1351 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 -0.2782 0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 1.0544 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.6877 1.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 1.8520 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 1.0257 -0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 0.2493 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 1.1002 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 1.1304 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 0.3261 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 1.1299 -0.4752 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3518 2.0406 -1.4227 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2070 2.5746 -0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 3.2166 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6815 3.3721 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 4.4121 0.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9893 1.9673 0.3756 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4118 1.7462 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3006 1.2967 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7244 1.0727 0.5616 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3663 0.6805 1.7446 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0002 0.0886 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5801 -1.3169 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -1.5234 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8443 -3.0251 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 -3.2006 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9782 2.1640 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6060 3.0525 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5121 1.3036 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7423 2.9470 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0889 2.3556 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9873 0.9882 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9741 0.5913 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1566 -1.2518 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4315 -0.2073 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3722 -0.0697 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9060 -0.9739 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7969 -1.9278 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5615 -2.8337 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4813 -3.7869 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5340 -3.1716 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3398 -2.9652 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9689 -1.8170 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4617 -0.1669 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7299 -1.3918 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 0.3853 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4383 -0.0949 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2903 -1.7756 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4409 -2.4221 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -0.6887 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 -2.3735 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6288 -1.7002 2.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 0.9232 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -1.1633 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4482 -2.1825 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 2.3865 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 2.6668 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 0.3009 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 1.6463 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -0.3387 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -0.5234 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 1.7701 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 1.8095 1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7589 -0.2467 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 -0.4202 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6901 0.3915 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 1.5979 -2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 2.9727 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 4.0958 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1826 2.9388 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 1.8515 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7364 1.9590 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 1.1084 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2318 2.0302 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 1.4533 2.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1295 0.0732 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 0.4646 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1799 -1.7720 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8872 -1.9662 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8191 -1.0233 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5473 -1.1719 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 -3.5209 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4305 -3.4454 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 -2.3017 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8196 -3.3988 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1490 -4.0534 0.9997 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 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 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 34 28 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 15 67 1 0 15 68 1 0 16 69 1 1 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 23 75 1 0 23 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 6 29 84 1 6 30 85 1 0 31 86 1 0 31 87 1 0 34 88 1 1 35 89 1 0 36 90 1 0 37 91 1 6 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 M END