HMDB0300231 RDKit 3D DG(PGD2/i-21:0/0:0) 130130 0 0 0 0 0 0 0 0999 V2000 -14.2679 -2.0652 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3472 -1.0669 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2083 -0.0360 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2418 0.7366 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2123 1.7657 1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1356 2.9217 0.6022 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3569 3.6226 0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6244 2.6039 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3173 2.4884 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9152 2.1694 -2.3628 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9496 3.0254 -3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6707 4.1684 -2.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3947 2.1657 -4.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9769 0.7790 -3.9013 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.2989 0.6919 -4.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0616 0.8217 -2.3801 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9064 -0.1564 -1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6311 -1.5171 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5652 -2.2227 -1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2967 -1.7819 -2.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1331 -2.0046 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 -1.4814 -1.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -1.6380 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -2.1856 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 -1.2297 -1.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 -1.3528 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -0.6407 0.5119 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7639 0.7532 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 1.5501 -0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 -0.7494 1.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 -1.4737 2.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7256 -2.0984 2.8301 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -1.5661 2.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -2.7760 2.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -3.0281 2.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 -1.8299 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -1.5528 1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -0.4462 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.5321 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 -0.7844 2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 -0.7244 2.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 0.5251 2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7579 1.3460 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7093 2.4937 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1396 2.2886 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 1.4777 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4285 1.5520 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 1.0560 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2494 -0.3588 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5562 -0.7600 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8075 0.1446 -2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1152 -2.1911 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3495 -2.0113 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2856 -3.1231 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1409 -2.0253 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2407 -1.6243 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3329 -0.5879 -0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3138 0.6185 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2871 -0.6411 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2887 1.1327 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1183 -0.0413 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2140 2.0982 2.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2061 1.2403 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3647 3.6895 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1707 4.5641 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2935 2.4726 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6122 2.6415 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7660 1.9596 -3.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3049 2.1287 -3.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6167 2.5617 -5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -0.0105 -4.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5765 -0.2373 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1481 1.1771 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8941 -0.1668 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3358 0.3978 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5096 -2.1361 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6261 -3.3249 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 -2.4927 -2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1926 -0.7981 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0006 -3.0942 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2963 -1.5533 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -2.0166 -2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0539 -0.4032 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -2.4462 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -1.0482 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 -1.2509 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 0.8024 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9413 1.2085 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 2.4625 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.6879 4.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -0.6695 2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -3.6437 2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -2.6751 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 -3.2325 3.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -3.8848 2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 -1.9951 3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 -0.9149 3.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 -2.4807 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 -1.3543 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -0.1564 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 0.4988 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4865 0.3023 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3398 -1.4400 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 -0.2459 3.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4013 -1.9131 2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3772 -1.2649 3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -1.4425 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8916 0.3437 2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 1.2040 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 0.7542 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 1.8410 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 3.1212 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3724 3.2190 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3127 1.8625 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6111 3.3429 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 0.3742 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8179 1.7139 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8076 2.5685 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9046 0.8129 2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2418 1.7271 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7864 1.0809 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8173 -1.0506 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1531 -0.5337 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 -0.7074 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6191 -0.4290 -3.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8740 0.4759 -2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4492 1.0296 -2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3508 -2.8050 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0226 -2.2265 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 -2.6003 -2.8095 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 2 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 27 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 50 51 1 0 50 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 1 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 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 1 28 87 1 0 28 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END