@MOLECULE (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2(5h)-furanone 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5033 -1.4549 0.8397 O.3 1 UNL1111111111 -0.4062 2 O 1.5252 1.3722 -0.2423 O.2 1 UNL1111111111 -0.2491 3 O -1.5817 -0.3648 -1.3780 O.3 1 UNL1111111111 -0.5291 4 O -3.8869 0.9706 -0.2411 O.3 1 UNL1111111111 -0.5340 5 O 2.7576 -1.2026 -0.6936 O.2 1 UNL1111111111 -0.3776 6 O 0.6863 -3.2613 0.2396 O.2 1 UNL1111111111 -0.4083 7 C -0.3927 -0.0213 0.7101 C.3 1 UNL1111111111 0.0024 8 C -1.5467 0.4172 -0.2122 C.3 1 UNL1111111111 0.0759 9 C 0.9751 0.2049 0.0986 C.2 1 UNL1111111111 0.1058 10 C -2.9022 0.2947 0.5065 C.3 1 UNL1111111111 -0.0495 11 C 1.5423 -1.0014 -0.1530 C.2 1 UNL1111111111 -0.0326 12 C 0.6214 -2.0694 0.2839 C.2 1 UNL1111111111 0.5520 13 C 1.2162 2.4899 0.6175 C.3 1 UNL1111111111 -0.0396 14 C 2.0072 3.6184 -0.0254 C.3 1 UNL1111111111 -0.4583 15 H -0.4874 0.3761 1.7418 H 1 UNL1111111111 0.1656 16 H -1.3884 1.4471 -0.6126 H 1 UNL1111111111 0.1692 17 H -3.2017 -0.7622 0.6377 H 1 UNL1111111111 0.1387 18 H -2.9222 0.8082 1.4838 H 1 UNL1111111111 0.1452 19 H -1.5648 -1.3247 -1.1551 H 1 UNL1111111111 0.3291 20 H 0.1310 2.6761 0.6130 H 1 UNL1111111111 0.1244 21 H 1.5629 2.2606 1.6396 H 1 UNL1111111111 0.1303 22 H -3.8753 0.6510 -1.1720 H 1 UNL1111111111 0.3274 23 H 2.1425 4.4600 0.6624 H 1 UNL1111111111 0.1564 24 H 3.0094 3.2729 -0.3281 H 1 UNL1111111111 0.1729 25 H 1.5185 3.9936 -0.9336 H 1 UNL1111111111 0.1615 26 H 2.8748 -2.1713 -0.9121 H 1 UNL1111111111 0.3276 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 13 1 5 3 8 1 6 3 19 1 7 4 10 1 8 4 22 1 9 5 11 1 10 5 26 1 11 6 12 2 12 7 8 1 13 7 9 1 14 7 15 1 15 8 10 1 16 8 16 1 17 9 11 2 18 10 17 1 19 10 18 1 20 11 12 1 21 13 14 1 22 13 20 1 23 13 21 1 24 14 23 1 25 14 24 1 26 14 25 1