HMDB0294873 RDKit 3D DG(13:0/PGD2/0:0) 106106 0 0 0 0 0 0 0 0999 V2000 12.8697 3.3892 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9881 2.3835 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 0.9952 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1971 0.0802 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2905 -1.3004 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5969 -2.4277 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1705 -2.6407 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 -1.9167 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9543 -0.4887 -1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4234 -0.0256 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 1.4500 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 1.7537 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 0.9589 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 0.0034 -1.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 1.3789 0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 0.7429 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 0.7691 0.4817 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4642 2.1515 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 2.0509 -0.5327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 0.0493 1.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -1.0329 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.3978 -0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.7552 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -1.0700 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 -0.8098 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 -2.0254 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -2.4123 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -1.6564 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3209 -2.4924 0.2050 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7149 -2.9350 1.5316 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3627 -1.8237 2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9906 -3.4844 2.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0101 -2.4688 1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0849 -2.3178 2.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4882 -1.6680 0.6768 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5252 -1.4414 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8437 -0.1906 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8731 0.1009 -1.7619 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8846 -0.8385 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 1.5054 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0167 1.5387 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5648 2.8259 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6767 3.4570 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4541 3.8574 -1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2498 4.2504 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6126 3.7636 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3534 2.8882 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1534 2.3600 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9079 2.6622 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1723 0.5927 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 0.9330 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 0.5108 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 0.2052 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4163 -1.6108 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0385 -1.3217 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0437 -3.4194 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0041 -2.5986 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 -2.6923 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 -3.7825 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 -2.0903 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 -2.4928 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7481 0.1491 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -0.3328 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4336 -0.5114 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1412 -0.2376 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1151 1.9753 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8049 1.8566 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8484 2.8213 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3732 1.5367 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -0.3248 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 1.2037 2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 0.3017 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 2.6732 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 2.8079 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 1.2558 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -2.7947 1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 -1.8692 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 -1.6762 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -0.0794 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8373 -0.2585 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -0.0606 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -2.6756 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 -3.3565 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8647 -1.5193 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2343 -0.7183 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 -3.4087 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 -3.6971 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4226 -2.0437 3.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1715 -4.4658 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8356 -3.5688 3.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0911 -0.7199 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0578 -2.2497 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3187 0.6220 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4273 0.1016 -2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0876 -1.0849 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6098 2.2413 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1749 1.7098 -2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1796 1.2032 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7781 0.7221 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7255 3.5802 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9513 2.6767 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6176 2.8291 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9982 4.3848 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4082 4.0078 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9539 3.1674 -2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9778 4.8467 -2.0148 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 35 29 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 16 70 1 0 16 71 1 0 17 72 1 6 18 73 1 0 18 74 1 0 19 75 1 0 23 76 1 0 23 77 1 0 24 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 6 30 87 1 6 31 88 1 0 32 89 1 0 32 90 1 0 35 91 1 1 36 92 1 0 37 93 1 0 38 94 1 6 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 M END