@MOLECULE butanoyl (1S)-2,2-dimethylcyclopropanecarboxylate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1211 -0.1676 -0.2265 C.3 1 UNL11111111 0.1134 2 C -3.9073 -1.0002 -1.2072 C.3 1 UNL11111111 -0.4520 3 C -3.1744 1.3054 -0.5255 C.3 1 UNL11111111 -0.4620 4 C -3.0306 -0.6253 1.2086 C.3 1 UNL11111111 -0.3165 5 C -1.8174 -0.7870 0.3129 C.3 1 UNL11111111 -0.3165 6 H -1.5448 -1.7916 -0.0388 H 1 UNL11111111 0.1933 7 C -0.6541 0.0841 0.5560 C.2 1 UNL11111111 0.6655 8 O -0.5851 1.1220 1.1487 O.2 1 UNL11111111 -0.4524 9 O 0.4799 -0.5228 0.0552 O.3 1 UNL11111111 -0.5563 10 C 1.5985 0.2105 -0.2913 C.2 1 UNL11111111 0.6427 11 O 1.5100 1.3337 -0.6864 O.2 1 UNL11111111 -0.4359 12 C 2.8035 -0.6660 -0.1610 C.3 1 UNL11111111 -0.3478 13 C 4.0756 0.1880 -0.1931 C.3 1 UNL11111111 -0.2336 14 C 5.3069 -0.6668 0.0941 C.3 1 UNL11111111 -0.4394 15 H -3.5111 -0.8905 -2.2261 H 1 UNL11111111 0.1586 16 H -3.8904 -2.0696 -0.9657 H 1 UNL11111111 0.1499 17 H -4.9610 -0.6908 -1.2306 H 1 UNL11111111 0.1574 18 H -4.2077 1.6760 -0.5126 H 1 UNL11111111 0.1574 19 H -2.6127 1.9102 0.2046 H 1 UNL11111111 0.1773 20 H -2.7509 1.5308 -1.5139 H 1 UNL11111111 0.1604 21 H -3.0032 0.1166 2.0076 H 1 UNL11111111 0.1769 22 H -3.5661 -1.5095 1.5420 H 1 UNL11111111 0.1622 23 H 2.7498 -1.2596 0.7775 H 1 UNL11111111 0.1816 24 H 2.8091 -1.4184 -0.9788 H 1 UNL11111111 0.1791 25 H 4.1715 0.6886 -1.1776 H 1 UNL11111111 0.1507 26 H 4.0014 1.0125 0.5458 H 1 UNL11111111 0.1521 27 H 5.2550 -1.1309 1.0860 H 1 UNL11111111 0.1447 28 H 5.4248 -1.4699 -0.6417 H 1 UNL11111111 0.1428 29 H 6.2219 -0.0630 0.0665 H 1 UNL11111111 0.1466 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1