HMDB0260977 RDKit 3D PE(PGD1/16:0) 130130 0 0 0 0 0 0 0 0999 V2000 13.5270 3.7802 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 3.7248 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8799 2.8304 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3106 1.4099 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 0.8558 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8791 -0.5581 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1425 -1.2473 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 -1.7630 1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6547 -1.0926 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6767 -0.9376 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 -0.1940 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1485 -0.8783 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 -2.2325 -1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.0388 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4395 -3.4625 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 -2.4681 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 -2.1954 2.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9307 -1.7401 1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -0.7953 2.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5428 -1.1472 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.3025 2.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.1737 1.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -2.9859 1.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -2.2945 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 -1.6531 1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8915 -1.7526 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 -1.0789 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -1.2780 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6081 -0.7500 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -1.0164 0.1283 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1596 -2.5403 -0.0368 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5728 -3.2086 1.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6575 -2.7198 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9280 -1.8798 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7012 -2.0284 2.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0050 -0.6997 1.1729 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7664 0.5344 1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6545 1.4200 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5012 2.6769 0.0913 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7064 3.7756 0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1251 2.7974 -1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9864 1.6521 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1955 1.3644 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3039 2.3559 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0115 3.6996 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 0.5493 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 0.4853 0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 1.9953 -0.0634 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1663 2.9459 0.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 2.6086 0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.9068 -1.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 1.0071 -2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 0.9990 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 0.5835 -4.0817 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 4.3909 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1886 4.2680 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8975 2.7647 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7901 4.7490 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 3.4287 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4072 3.2167 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7978 2.8351 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3611 1.3125 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0745 0.7755 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 1.0952 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8478 1.4405 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9946 -0.5550 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7985 -1.1074 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2225 -0.6705 2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7954 -2.1730 1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4053 -2.2119 2.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 -2.7933 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7268 -1.6572 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5154 -0.0457 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6624 -1.9607 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5648 -0.4760 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -0.0698 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4173 0.8254 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -0.2181 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0213 -0.7498 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 -2.1239 -2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9496 -2.8865 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8745 -3.9606 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -2.4805 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -4.2412 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -4.0589 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 -0.7416 2.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -0.2970 3.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 -2.0165 3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5672 -1.9330 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -3.3958 0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 -2.1196 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 -0.5694 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 -2.8051 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 -1.2463 2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 0.0161 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -1.4446 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8124 -2.2949 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 -0.6360 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5216 0.3438 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5386 -1.2270 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 -0.6214 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7584 -2.8503 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0095 -4.1130 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8723 -3.7687 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2056 -2.3898 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4607 -0.6552 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4931 0.7236 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9436 1.2259 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2406 2.5854 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2254 4.5937 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2437 2.7695 -2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6554 3.7478 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4074 0.6979 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3493 1.8667 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9596 1.1659 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5638 0.3411 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7962 2.4285 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1163 1.9001 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8525 4.4639 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8812 4.1135 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1711 3.7300 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 1.3639 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 0.7056 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 2.2687 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 0.0052 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 1.2511 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 2.0374 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 0.3419 -4.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4261 1.2969 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -0.3662 -3.7141 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 1 0 13 14 1 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 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 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 31 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 19 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 36 30 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 1 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 6 31102 1 6 32103 1 0 33104 1 0 33105 1 0 36106 1 1 37107 1 0 38108 1 0 39109 1 1 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 M END