@MOLECULE [(2R)-2-methylbutanoyl] 2,2-dimethylpentanoate 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5914 -0.4235 0.1211 C.3 1 UNL111111111 -0.4401 2 C 4.3528 0.4595 -0.0372 C.3 1 UNL111111111 -0.2417 3 C 3.0841 -0.3997 -0.0615 C.3 1 UNL111111111 -0.2898 4 C 1.7850 0.4279 -0.1390 C.3 1 UNL111111111 0.0351 5 C 1.6054 1.3075 1.1002 C.3 1 UNL111111111 -0.4515 6 C 1.7171 1.2647 -1.4194 C.3 1 UNL111111111 -0.4525 7 C 0.6348 -0.5722 -0.1935 C.2 1 UNL111111111 0.6072 8 O 0.6799 -1.7538 -0.3571 O.2 1 UNL111111111 -0.4369 9 O -0.5646 0.1022 -0.1102 O.3 1 UNL111111111 -0.5489 10 C -1.7275 -0.4955 0.3178 C.2 1 UNL111111111 0.6186 11 O -1.7317 -1.5111 0.9450 O.2 1 UNL111111111 -0.4362 12 C -2.8860 0.3963 -0.0647 C.3 1 UNL111111111 -0.1568 13 H -2.6461 0.9401 -1.0136 H 1 UNL111111111 0.1703 14 C -3.0753 1.4067 1.0676 C.3 1 UNL111111111 -0.4382 15 C -4.1258 -0.4873 -0.2779 C.3 1 UNL111111111 -0.2517 16 C -5.2577 0.2898 -0.9448 C.3 1 UNL111111111 -0.4352 17 H 5.5610 -0.9939 1.0567 H 1 UNL111111111 0.1458 18 H 5.6795 -1.1432 -0.7007 H 1 UNL111111111 0.1458 19 H 6.5076 0.1764 0.1322 H 1 UNL111111111 0.1384 20 H 4.3080 1.1920 0.7905 H 1 UNL111111111 0.1340 21 H 4.4318 1.0530 -0.9673 H 1 UNL111111111 0.1333 22 H 3.1276 -1.1024 -0.9194 H 1 UNL111111111 0.1573 23 H 3.0545 -1.0471 0.8387 H 1 UNL111111111 0.1547 24 H 2.3882 2.0723 1.1619 H 1 UNL111111111 0.1533 25 H 0.6412 1.8330 1.0851 H 1 UNL111111111 0.1602 26 H 1.6467 0.7193 2.0249 H 1 UNL111111111 0.1546 27 H 1.8491 0.6475 -2.3163 H 1 UNL111111111 0.1545 28 H 0.7527 1.7822 -1.5092 H 1 UNL111111111 0.1605 29 H 2.4994 2.0326 -1.4330 H 1 UNL111111111 0.1544 30 H -2.1725 2.0116 1.2205 H 1 UNL111111111 0.1525 31 H -3.8979 2.0971 0.8452 H 1 UNL111111111 0.1547 32 H -3.3126 0.9136 2.0195 H 1 UNL111111111 0.1579 33 H -3.8595 -1.3678 -0.8985 H 1 UNL111111111 0.1499 34 H -4.4633 -0.9065 0.6917 H 1 UNL111111111 0.1545 35 H -5.5913 1.1325 -0.3286 H 1 UNL111111111 0.1428 36 H -4.9548 0.6912 -1.9188 H 1 UNL111111111 0.1433 37 H -6.1296 -0.3542 -1.1137 H 1 UNL111111111 0.1460 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 3 22 1 22 3 23 1 23 5 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 6 29 1 29 14 30 1 30 14 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 16 35 1 35 16 36 1 36 16 37 1