@MOLECULE 3,3-dimethylbutanoyl 1-methylcyclopropanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7359 -0.3781 -1.2060 C.3 1 UNL11111111 -0.3650 2 C -4.2834 0.1463 0.0930 C.3 1 UNL11111111 -0.6173 3 C -2.8941 -0.4702 0.0575 C.3 1 UNL11111111 0.3257 4 C -2.6395 -1.8011 0.7027 C.3 1 UNL11111111 -1.1109 5 C -1.7537 0.4897 0.1522 C.2 1 UNL11111111 0.1894 6 O -1.8079 1.6769 0.2750 O.2 1 UNL11111111 -0.2517 7 O -0.5759 -0.2087 0.0662 O.3 1 UNL11111111 -0.2845 8 C 0.6810 0.3747 0.0738 C.2 1 UNL11111111 0.4398 9 O 0.8410 1.5538 0.1350 O.2 1 UNL11111111 -0.3168 10 C 1.6609 -0.7537 -0.0090 C.3 1 UNL11111111 -0.6323 11 C 3.1348 -0.2870 -0.0813 C.3 1 UNL11111111 0.8988 12 C 3.5055 0.4975 1.1826 C.3 1 UNL11111111 -1.0301 13 C 4.0160 -1.5462 -0.1737 C.3 1 UNL11111111 -1.0374 14 C 3.3564 0.5799 -1.3260 C.3 1 UNL11111111 -1.0290 15 H -4.1367 -1.2896 -1.6417 H 1 UNL11111111 0.1810 16 H -3.4542 0.3182 -1.9938 H 1 UNL11111111 0.2457 17 H -4.3848 1.2226 0.2415 H 1 UNL11111111 0.2519 18 H -5.0866 -0.3779 0.6028 H 1 UNL11111111 0.2675 19 H -3.5234 -2.4509 0.6767 H 1 UNL11111111 0.3449 20 H -1.8225 -2.3386 0.1969 H 1 UNL11111111 0.3168 21 H -2.3488 -1.6878 1.7569 H 1 UNL11111111 0.3162 22 H 1.5199 -1.4226 0.8681 H 1 UNL11111111 0.2334 23 H 1.4211 -1.3841 -0.8933 H 1 UNL11111111 0.2412 24 H 3.3377 -0.0887 2.0907 H 1 UNL11111111 0.2536 25 H 4.5598 0.7938 1.1710 H 1 UNL11111111 0.2839 26 H 2.9161 1.4213 1.2703 H 1 UNL11111111 0.2481 27 H 3.7842 -2.1382 -1.0643 H 1 UNL11111111 0.2530 28 H 5.0771 -1.2782 -0.2295 H 1 UNL11111111 0.2798 29 H 3.8908 -2.1925 0.7006 H 1 UNL11111111 0.2621 30 H 2.7646 1.5052 -1.2818 H 1 UNL11111111 0.3342 31 H 4.4058 0.8797 -1.4195 H 1 UNL11111111 0.2416 32 H 3.0807 0.0532 -2.2443 H 1 UNL11111111 0.2662 @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 11 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 10 22 1 23 10 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 30 14 30 1 31 14 31 1 32 14 32 1