@MOLECULE ethyl (r)-3-hydroxybutyrate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5093 0.4564 0.0581 O.3 1 UNL1111111111 -0.4251 2 O 2.4237 -1.0461 0.1589 O.3 1 UNL1111111111 -0.5746 3 O -0.2610 -1.4064 -0.0344 O.2 1 UNL1111111111 -0.5433 4 C 2.0736 0.2116 -0.3734 C.3 1 UNL1111111111 0.2117 5 C 0.7983 0.7405 0.3254 C.3 1 UNL1111111111 -0.4329 6 C 3.2701 1.1156 -0.0923 C.3 1 UNL1111111111 -0.4716 7 C -0.3351 -0.2055 0.0964 C.2 1 UNL1111111111 0.6191 8 C -2.6900 -0.3453 -0.1306 C.3 1 UNL1111111111 0.0093 9 C -3.8304 0.6527 -0.0301 C.3 1 UNL1111111111 -0.4638 10 H 1.8975 0.0856 -1.4662 H 1 UNL1111111111 0.1176 11 H 0.9828 0.8266 1.4200 H 1 UNL1111111111 0.1961 12 H 0.5556 1.7648 -0.0192 H 1 UNL1111111111 0.1847 13 H 4.1669 0.7280 -0.5962 H 1 UNL1111111111 0.1649 14 H 3.5054 1.1372 0.9800 H 1 UNL1111111111 0.1631 15 H 3.1001 2.1396 -0.4337 H 1 UNL1111111111 0.1467 16 H -2.6220 -0.8287 -1.1210 H 1 UNL1111111111 0.1352 17 H -2.7210 -1.1199 0.6561 H 1 UNL1111111111 0.1381 18 H 1.6489 -1.6553 0.1270 H 1 UNL1111111111 0.3479 19 H -4.7995 0.1613 -0.1752 H 1 UNL1111111111 0.1565 20 H -3.8454 1.1472 0.9505 H 1 UNL1111111111 0.1605 21 H -3.7369 1.4448 -0.7840 H 1 UNL1111111111 0.1599 @BOND 1 1 7 1 2 1 8 1 3 2 4 1 4 2 18 1 5 3 7 2 6 4 5 1 7 4 6 1 8 4 10 1 9 5 7 1 10 5 11 1 11 5 12 1 12 6 13 1 13 6 14 1 14 6 15 1 15 8 9 1 16 8 16 1 17 8 17 1 18 9 19 1 19 9 20 1 20 9 21 1