HMDB0030617 RDKit 3D Pratensein 34 36 0 0 0 0 0 0 0 0999 V2000 -5.8190 0.9763 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8115 1.9618 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 1.6026 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 0.3106 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -0.0441 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 0.9079 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 0.4858 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 1.1831 1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.7658 1.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -0.3298 1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 -0.7589 1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -1.9041 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2255 -2.3032 1.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 -2.6620 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -2.2712 -0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 -3.0910 -1.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 -1.1182 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -0.6851 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.3704 -0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 2.2087 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 2.5331 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 3.8475 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1058 0.6999 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 1.3527 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 0.0390 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8919 -0.4759 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6105 -1.0773 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 2.1075 1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 -0.1556 2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 -3.1287 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -3.5677 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -3.1426 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 2.9669 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7326 4.1365 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 18 7 1 0 17 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 8 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 16 32 1 0 20 33 1 0 22 34 1 0 M END