HMDB0258215 RDKit 3D Selexipag 67 69 0 0 0 0 0 0 0 0999 V2000 -0.0740 -2.0854 -2.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -0.6281 -2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 -0.3958 -3.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 0.0490 -1.5642 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 0.0166 -1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 0.7790 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 0.4821 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 0.8069 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 0.6755 -1.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.7215 -1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3546 0.5139 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6421 0.5657 -0.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 0.2839 1.1725 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 0.0868 2.5489 S 0 0 0 0 0 6 0 0 0 0 0 0 8.7301 -1.4692 2.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1177 0.1749 3.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 1.2214 2.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 0.5274 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 1.5267 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 1.8321 1.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1135 1.1506 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 1.4347 1.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8452 0.4951 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9379 0.7887 3.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5238 2.0550 3.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9273 2.9709 2.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 2.6949 1.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 0.1240 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 -0.6095 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7528 -0.0197 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.7413 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -2.0997 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 -2.7247 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 -1.9752 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 -0.1634 -0.8021 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 -2.5952 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 -2.2292 -3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -2.5795 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -0.1544 -3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5759 -1.1668 -2.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -0.4594 -4.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 0.6420 -2.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -1.1059 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9121 0.1693 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 1.8894 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 0.5687 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.5517 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 1.2269 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 0.0995 -2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 1.8036 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1671 -0.0153 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1603 1.7294 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 0.2140 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1196 -1.8032 3.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 -2.2813 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5363 -1.3858 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 2.0930 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -0.5248 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3845 0.0336 4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3912 2.2808 3.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3792 3.9793 2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 3.4834 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7913 1.0448 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8949 -0.2626 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 -2.7104 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -3.7982 0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 -2.5076 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 14 17 2 0 4 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 21 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 28 35 2 0 35 18 1 0 27 22 1 0 34 29 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 10 51 1 0 10 52 1 0 13 53 1 0 15 54 1 0 15 55 1 0 15 56 1 0 19 57 1 0 23 58 1 0 24 59 1 0 25 60 1 0 26 61 1 0 27 62 1 0 30 63 1 0 31 64 1 0 32 65 1 0 33 66 1 0 34 67 1 0 M END