@MOLECULE 3-methylbutanoyl 1-methylcyclopropanecarboxylate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4659 -0.1738 -1.0917 C.3 1 UNL11111111 -0.4883 2 C -3.9428 0.3174 0.2480 C.3 1 UNL11111111 -0.4565 3 C -2.6222 -0.4267 0.1470 C.3 1 UNL11111111 0.1762 4 C -2.4810 -1.8125 0.7066 C.3 1 UNL11111111 -0.9225 5 C -1.3895 0.4008 0.2815 C.2 1 UNL11111111 0.3213 6 O -1.2852 1.5209 0.6849 O.2 1 UNL11111111 -0.2624 7 O -0.2894 -0.3456 -0.0762 O.3 1 UNL11111111 -0.2441 8 C 0.8877 0.2424 -0.4992 C.2 1 UNL11111111 0.3273 9 O 0.9063 1.3367 -0.9763 O.2 1 UNL11111111 -0.2939 10 C 1.9925 -0.7527 -0.3403 C.3 1 UNL11111111 -0.6480 11 C 3.3411 -0.0307 -0.1501 C.3 1 UNL11111111 0.3924 12 C 3.3673 0.7118 1.1883 C.3 1 UNL11111111 -0.9169 13 C 4.4787 -1.0545 -0.2159 C.3 1 UNL11111111 -1.0446 14 H -3.9591 -1.0127 -1.5761 H 1 UNL11111111 0.2451 15 H -3.1270 0.5398 -1.8408 H 1 UNL11111111 0.2181 16 H -3.9370 1.3865 0.4663 H 1 UNL11111111 0.2184 17 H -4.7865 -0.1584 0.7398 H 1 UNL11111111 0.2299 18 H -3.4086 -2.3924 0.6139 H 1 UNL11111111 0.2954 19 H -1.6903 -2.3749 0.1853 H 1 UNL11111111 0.2676 20 H -2.2162 -1.7908 1.7737 H 1 UNL11111111 0.2867 21 H 1.7931 -1.4364 0.5116 H 1 UNL11111111 0.2729 22 H 2.0227 -1.4050 -1.2396 H 1 UNL11111111 0.2694 23 H 3.4702 0.7128 -0.9780 H 1 UNL11111111 0.1149 24 H 3.1938 0.0388 2.0340 H 1 UNL11111111 0.2717 25 H 4.3342 1.2017 1.3514 H 1 UNL11111111 0.2473 26 H 2.6001 1.4974 1.2246 H 1 UNL11111111 0.2692 27 H 4.5005 -1.5752 -1.1790 H 1 UNL11111111 0.2679 28 H 5.4529 -0.5672 -0.0886 H 1 UNL11111111 0.2920 29 H 4.3900 -1.8117 0.5708 H 1 UNL11111111 0.2935 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1