@MOLECULE (3r)-5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3625 -0.0477 1.7549 O.3 1 UNL111111111 -0.5241 2 O 2.2092 -0.8180 -0.5738 O.3 1 UNL111111111 -0.4501 3 O -2.4935 -0.4104 -0.6353 O.3 1 UNL111111111 -0.4570 4 O 2.3191 -0.6465 1.6672 O.2 1 UNL111111111 -0.4454 5 O 0.7972 3.1357 -0.7199 O.3 1 UNL111111111 -0.5472 6 O -2.7399 -2.2232 0.6634 O.2 1 UNL111111111 -0.4895 7 O 0.7275 2.4054 1.3847 O.2 1 UNL111111111 -0.5219 8 C 0.1826 -0.2778 0.4939 C.3 1 UNL111111111 0.2862 9 C -0.5208 -1.5352 -0.0362 C.3 1 UNL111111111 -0.3774 10 C 0.0228 0.9451 -0.4246 C.3 1 UNL111111111 -0.4302 11 C 1.6839 -0.5968 0.6537 C.2 1 UNL111111111 0.5162 12 C -2.0176 -1.4571 0.0848 C.2 1 UNL111111111 0.6350 13 C 0.5449 2.1864 0.2123 C.2 1 UNL111111111 0.6575 14 C 3.6149 -1.1126 -0.6285 C.3 1 UNL111111111 0.0161 15 C -3.9082 -0.1743 -0.5623 C.3 1 UNL111111111 0.0158 16 C 3.9559 -1.0178 -2.1057 C.3 1 UNL111111111 -0.4660 17 C -4.0992 1.1536 -1.2763 C.3 1 UNL111111111 -0.4669 18 H -0.1787 -2.4265 0.5469 H 1 UNL111111111 0.2028 19 H -0.2301 -1.7231 -1.0927 H 1 UNL111111111 0.1922 20 H -1.0626 1.1020 -0.6661 H 1 UNL111111111 0.2307 21 H 0.5010 0.7635 -1.4147 H 1 UNL111111111 0.2093 22 H 0.0513 0.7537 2.1800 H 1 UNL111111111 0.3641 23 H 3.7583 -2.1253 -0.2133 H 1 UNL111111111 0.1325 24 H 4.1641 -0.3782 -0.0120 H 1 UNL111111111 0.1380 25 H -4.4182 -1.0148 -1.0635 H 1 UNL111111111 0.1303 26 H -4.2106 -0.1400 0.5007 H 1 UNL111111111 0.1412 27 H 5.0120 -1.2518 -2.2834 H 1 UNL111111111 0.1554 28 H 3.3518 -1.7137 -2.7026 H 1 UNL111111111 0.1592 29 H 3.7644 -0.0099 -2.4975 H 1 UNL111111111 0.1601 30 H 1.1298 3.9881 -0.3362 H 1 UNL111111111 0.3604 31 H -5.1599 1.4287 -1.3172 H 1 UNL111111111 0.1567 32 H -3.5632 1.9648 -0.7664 H 1 UNL111111111 0.1585 33 H -3.7231 1.1128 -2.3067 H 1 UNL111111111 0.1578 @BOND 1 28 16 1 2 29 16 1 3 33 17 1 4 27 16 1 5 16 14 1 6 21 10 1 7 31 17 1 8 17 32 1 9 17 15 1 10 19 9 1 11 25 15 1 12 5 30 1 13 5 13 1 14 20 10 1 15 3 15 1 16 3 12 1 17 14 2 1 18 14 23 1 19 14 24 1 20 2 11 1 21 15 26 1 22 10 13 1 23 10 8 1 24 9 12 1 25 9 8 1 26 9 18 1 27 12 6 2 28 13 7 2 29 8 11 1 30 8 1 1 31 11 4 2 32 1 22 1