HMDB0298082 RDKit 3D DG(a-21:0/PGD1/0:0) 132132 0 0 0 0 0 0 0 0999 V2000 -17.1769 2.3130 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9041 1.6035 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4323 0.6757 1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1653 -0.0067 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3487 -0.8241 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0687 -1.5178 -1.0387 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6514 -2.3920 -0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9749 -0.4992 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7209 -0.8009 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5886 0.1542 -0.9733 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0677 1.5192 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2205 2.0614 -2.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3670 2.2103 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9299 1.2688 1.0828 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4406 1.8781 2.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9564 0.3366 0.4086 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5835 0.8872 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8262 1.1302 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6066 0.1113 2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -1.1560 2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3322 -2.2884 1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -2.2628 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9816 -2.0010 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 -3.0134 -0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.8204 -0.4681 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 -0.7561 -0.9291 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0114 0.1478 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 0.3026 -2.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 -0.1812 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -0.1287 -0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -1.1953 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -2.3160 -0.4727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -1.1983 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 0.1129 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 0.1845 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 0.0082 -2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 0.0344 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -1.0770 -1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 -1.1347 -1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 0.0273 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5387 0.3732 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4403 1.5714 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8507 1.2859 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4846 0.0983 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8479 -0.1338 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 1.0253 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1185 0.7000 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7864 -0.5080 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1780 -0.5681 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7990 -1.9938 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3002 0.3414 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0879 1.8077 1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0407 1.6475 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3649 3.2408 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0986 2.5666 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1983 1.0299 -0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1524 2.3486 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2491 1.2185 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2115 -0.1243 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4113 0.7866 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8106 -0.7049 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1290 -1.6127 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7076 -0.2160 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1853 -2.0607 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9043 -3.3049 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1977 0.4880 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5070 -1.8183 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8217 -0.1893 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4548 2.4162 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8203 3.1511 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8044 0.5983 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0235 1.8093 3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9645 -0.6388 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9895 0.4091 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7718 1.9506 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7737 1.4598 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1603 2.1268 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6569 -0.1559 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 0.7130 3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 -0.8966 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7982 -1.5023 3.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3355 -2.7272 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 -3.1622 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -3.3880 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1675 -1.7771 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 -1.7364 -1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 1.1165 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -0.2729 -2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 -0.5544 -3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 -0.6090 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 0.8960 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -2.0203 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -1.5076 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9837 0.2779 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 0.9751 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 -0.5654 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 1.1647 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 0.8971 -2.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -0.8624 -2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7081 -0.0691 -3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9015 1.0395 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 -1.0403 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 -2.0323 -1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -1.4143 -2.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 -2.0117 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 -0.2582 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 0.9426 -2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5116 0.6823 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7906 -0.5044 0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0476 2.4122 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 1.8252 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4468 2.1787 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 1.2614 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9024 -0.8384 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6155 0.2696 1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 -0.2867 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3384 -1.0270 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9114 1.3012 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 1.8823 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8281 0.4774 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7818 1.5606 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7495 -0.6184 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2248 -1.4560 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3471 -0.5189 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3639 -1.9658 2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0035 -2.7384 1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4394 -2.2048 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6291 0.1056 2.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2316 0.0907 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6957 2.3146 2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0546 2.1377 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5759 2.2260 0.6911 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 1 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 26 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 49 51 1 0 51 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 6 13 69 1 0 13 70 1 0 14 71 1 1 15 72 1 0 16 73 1 1 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END