@MOLECULE 2-hydroxy-4-methylpentanoate 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.2291 1.5427 -0.6626 O.3 1 UNL11111111 -0.5205 2 O 2.0689 -1.4227 -0.1876 O.3 1 UNL11111111 -0.5621 3 O 2.6311 0.6653 0.3716 O.2 1 UNL11111111 -0.4956 4 C -2.0288 -0.3393 0.5270 C.3 1 UNL11111111 -0.0417 5 C -0.5267 -0.2146 0.8587 C.3 1 UNL11111111 -0.3388 6 C 0.3366 0.1841 -0.3409 C.3 1 UNL11111111 0.1024 7 C -2.2805 -1.3985 -0.5514 C.3 1 UNL11111111 -0.4581 8 C -2.6148 1.0086 0.1026 C.3 1 UNL11111111 -0.4574 9 C 1.7960 -0.1065 -0.0133 C.2 1 UNL11111111 0.5768 10 H -2.5449 -0.6698 1.4653 H 1 UNL11111111 0.1277 11 H -0.3969 0.5229 1.6748 H 1 UNL11111111 0.1527 12 H -0.1714 -1.1856 1.2637 H 1 UNL11111111 0.1595 13 H 0.0253 -0.3242 -1.2865 H 1 UNL11111111 0.1822 14 H -1.7668 -2.3384 -0.3236 H 1 UNL11111111 0.1454 15 H -3.3499 -1.6215 -0.6391 H 1 UNL11111111 0.1440 16 H -1.9435 -1.0644 -1.5392 H 1 UNL11111111 0.1486 17 H -2.1115 1.4033 -0.7913 H 1 UNL11111111 0.1675 18 H -3.6808 0.9252 -0.1315 H 1 UNL11111111 0.1399 19 H -2.5055 1.7613 0.8899 H 1 UNL11111111 0.1411 20 H 0.5711 2.1151 0.0622 H 1 UNL11111111 0.3287 21 H 3.0074 -1.6670 0.0071 H 1 UNL11111111 0.3578 @BOND 1 16 7 1 2 13 6 1 3 17 8 1 4 1 6 1 5 1 20 1 6 15 7 1 7 7 14 1 8 7 4 1 9 6 9 1 10 6 5 1 11 2 9 1 12 2 21 1 13 18 8 1 14 9 3 2 15 8 4 1 16 8 19 1 17 4 5 1 18 4 10 1 19 5 12 1 20 5 11 1