@MOLECULE 3-methylbutanoyl (2R)-2-methylbutanoate 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5162 0.0726 -0.0812 C.3 1 UNL11111111 0.4032 2 C 3.4711 -1.4030 -0.4863 C.3 1 UNL11111111 -0.9223 3 C 4.6618 0.7911 -0.8002 C.3 1 UNL11111111 -0.9939 4 C 2.1816 0.7646 -0.4230 C.3 1 UNL11111111 -0.8816 5 C 1.0954 0.2616 0.4722 C.2 1 UNL11111111 0.5116 6 O 1.1568 -0.1301 1.5991 O.2 1 UNL11111111 -0.2689 7 O -0.1171 0.4040 -0.1723 O.3 1 UNL11111111 -0.3492 8 C -1.2143 -0.3651 0.1569 C.2 1 UNL11111111 0.2009 9 O -1.0925 -1.4702 0.5921 O.2 1 UNL11111111 -0.2310 10 C -2.4682 0.3942 -0.2001 C.3 1 UNL11111111 0.1215 11 H -2.2811 1.0150 -1.1138 H 1 UNL11111111 0.1625 12 C -2.7944 1.3121 0.9794 C.3 1 UNL11111111 -0.9472 13 C -3.5937 -0.6140 -0.4830 C.3 1 UNL11111111 -0.2717 14 C -4.7718 0.0476 -1.1934 C.3 1 UNL11111111 -0.7305 15 H 3.6821 0.1380 1.0248 H 1 UNL11111111 0.1252 16 H 3.2932 -1.5286 -1.5591 H 1 UNL11111111 0.2690 17 H 4.4137 -1.9084 -0.2470 H 1 UNL11111111 0.2615 18 H 2.6751 -1.9393 0.0479 H 1 UNL11111111 0.2676 19 H 4.5344 0.7707 -1.8878 H 1 UNL11111111 0.2747 20 H 4.7402 1.8392 -0.4924 H 1 UNL11111111 0.2519 21 H 5.6242 0.3148 -0.5776 H 1 UNL11111111 0.2819 22 H 2.2699 1.8655 -0.3023 H 1 UNL11111111 0.3081 23 H 1.9227 0.6073 -1.4913 H 1 UNL11111111 0.3155 24 H -1.9865 2.0325 1.1635 H 1 UNL11111111 0.2590 25 H -3.7093 1.8859 0.7895 H 1 UNL11111111 0.2742 26 H -2.9512 0.7465 1.9079 H 1 UNL11111111 0.3089 27 H -3.2066 -1.4512 -1.0995 H 1 UNL11111111 0.1632 28 H -3.9281 -1.0838 0.4637 H 1 UNL11111111 0.1904 29 H -5.1980 0.8641 -0.5995 H 1 UNL11111111 0.2185 30 H -4.4792 0.4626 -2.1645 H 1 UNL11111111 0.1984 31 H -5.5765 -0.6754 -1.3762 H 1 UNL11111111 0.2284 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 12 24 1 24 12 25 1 25 12 26 1 26 13 27 1 27 13 28 1 28 14 29 1 29 14 30 1 30 14 31 1