HMDB0266577 RDKit 3D PA(2:0/PGD1) 80 80 0 0 0 0 0 0 0 0999 V2000 -11.4684 -1.6023 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9372 -0.2195 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4588 -0.2473 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6293 -0.8276 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1822 -0.8479 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 0.5237 -0.4919 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7784 1.2839 -1.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1738 0.4572 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 1.3289 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 1.4126 -0.3763 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6283 2.7094 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 3.7491 -0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 2.3305 1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 0.8355 1.9208 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4787 0.5068 2.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 0.3793 0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9982 -0.1789 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.6568 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 1.4334 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 2.3015 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 1.5183 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 0.5740 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 -0.1387 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -0.6018 -0.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -0.2852 0.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -0.9671 0.3035 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4505 -2.0366 1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -2.7257 0.6476 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -3.4384 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4994 -4.1727 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 -3.4939 -1.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 0.0339 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 -0.7057 -0.6605 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 0.3279 -1.0827 P 0 0 0 0 0 5 0 0 0 0 0 0 10.7781 1.1764 0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6207 -0.6640 -1.5731 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 1.2974 -2.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8682 -2.3981 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4949 -1.6565 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5756 -1.7538 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1119 0.4148 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4586 0.1975 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1686 0.8298 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2631 -0.7483 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9194 -1.8585 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6769 -0.1885 -2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5375 -1.3107 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1346 -1.5137 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2145 0.9734 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 2.1031 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 -0.3111 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7952 2.0781 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 1.4850 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 2.5655 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 2.9160 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 0.4071 2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 0.5695 3.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -0.5156 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -1.0551 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -0.7503 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 -0.0004 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 1.3024 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 2.1282 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 0.7874 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 2.9346 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 3.0516 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 2.2172 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 0.9173 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 1.1421 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 -0.1442 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -1.3475 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 -2.7383 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7594 -1.5305 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -4.5266 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 -4.9590 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3353 -3.4332 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 0.8089 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4176 0.4507 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2782 -1.1894 -2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1891 1.9658 -1.9992 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 28 29 1 0 29 30 1 0 29 31 2 0 26 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 16 10 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 1 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 6 13 54 1 0 13 55 1 0 14 56 1 1 15 57 1 0 16 58 1 1 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 26 71 1 6 27 72 1 0 27 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 32 77 1 0 32 78 1 0 36 79 1 0 37 80 1 0 M END