@MOLECULE (3r)-3-hydroxy-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2143 0.0634 1.5148 O.3 1 UNL1111111111 -0.5288 2 O 1.6605 -1.8379 -0.7081 O.3 1 UNL1111111111 -0.4177 3 O -2.5900 0.2482 -0.7298 O.3 1 UNL1111111111 -0.4394 4 O 2.4499 -0.6048 1.0034 O.2 1 UNL1111111111 -0.4514 5 O 1.6930 2.7743 -1.0443 O.3 1 UNL1111111111 -0.5446 6 O -3.1063 -1.3901 0.7187 O.2 1 UNL1111111111 -0.4748 7 O 1.1161 2.3725 1.0731 O.2 1 UNL1111111111 -0.5097 8 C 0.1514 -0.2598 0.2107 C.3 1 UNL1111111111 0.2859 9 C -0.8838 -1.2923 -0.2552 C.3 1 UNL1111111111 -0.3758 10 C 0.2313 0.9742 -0.7057 C.3 1 UNL1111111111 -0.4346 11 C 1.5568 -0.8953 0.2603 C.2 1 UNL1111111111 0.5174 12 C -2.2952 -0.8530 0.0169 C.2 1 UNL1111111111 0.6280 13 C 1.0360 2.0722 -0.0927 C.2 1 UNL1111111111 0.6559 14 C 2.9140 -2.5108 -0.7953 C.3 1 UNL1111111111 -0.1650 15 C -3.8823 0.8110 -0.5298 C.3 1 UNL1111111111 -0.1624 16 H -0.7138 -2.2575 0.2845 H 1 UNL1111111111 0.2050 17 H -0.7481 -1.5217 -1.3345 H 1 UNL1111111111 0.1933 18 H 0.6152 0.6971 -1.7129 H 1 UNL1111111111 0.2030 19 H -0.8017 1.3682 -0.9000 H 1 UNL1111111111 0.2293 20 H 0.3085 0.8422 1.8555 H 1 UNL1111111111 0.3683 21 H 3.7016 -1.8001 -1.0660 H 1 UNL1111111111 0.1393 22 H 2.7449 -3.2446 -1.5914 H 1 UNL1111111111 0.1459 23 H 3.1497 -2.9998 0.1564 H 1 UNL1111111111 0.1447 24 H 2.2378 3.5206 -0.6811 H 1 UNL1111111111 0.3623 25 H -3.9828 1.1537 0.5065 H 1 UNL1111111111 0.1446 26 H -4.6579 0.0741 -0.7639 H 1 UNL1111111111 0.1396 27 H -3.9021 1.6493 -1.2344 H 1 UNL1111111111 0.1418 @BOND 1 1 8 1 2 1 20 1 3 2 11 1 4 2 14 1 5 3 12 1 6 3 15 1 7 4 11 2 8 5 13 1 9 5 24 1 10 6 12 2 11 7 13 2 12 8 9 1 13 8 10 1 14 8 11 1 15 9 12 1 16 9 16 1 17 9 17 1 18 10 13 1 19 10 18 1 20 10 19 1 21 14 21 1 22 14 22 1 23 14 23 1 24 15 25 1 25 15 26 1 26 15 27 1