@MOLECULE (1S,2S)-1-[(R)-isobutylsulfinyl]-2-methyl-cyclopropane 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5929 -0.0182 -0.0159 C.3 1 UNL11111111 -0.0352 2 C 2.8384 -0.6003 1.3822 C.3 1 UNL11111111 -0.4584 3 C 3.6245 -0.5952 -0.9988 C.3 1 UNL11111111 -0.4567 4 C 1.1819 -0.3409 -0.5197 C.3 1 UNL11111111 -0.5117 5 S -0.0889 0.6769 0.3439 S.O 1 UNL11111111 1.0866 6 O 0.0130 2.0295 -0.2596 O.2 1 UNL11111111 -0.7923 7 C -1.5476 -0.0833 -0.4307 C.3 1 UNL11111111 -0.4232 8 H -1.7296 0.3310 -1.4285 H 1 UNL11111111 0.1839 9 C -1.9046 -1.5220 -0.1639 C.3 1 UNL11111111 -0.3297 10 C -2.7497 -0.4156 0.4296 C.3 1 UNL11111111 -0.0875 11 H -2.6928 -0.2467 1.5127 H 1 UNL11111111 0.1541 12 C -4.1274 -0.1501 -0.1156 C.3 1 UNL11111111 -0.4399 13 H 2.7362 1.0932 0.0217 H 1 UNL11111111 0.1494 14 H 2.1827 -0.1519 2.1356 H 1 UNL11111111 0.1470 15 H 2.6804 -1.6832 1.4023 H 1 UNL11111111 0.1403 16 H 3.8685 -0.4153 1.7078 H 1 UNL11111111 0.1428 17 H 3.5267 -1.6810 -1.0953 H 1 UNL11111111 0.1417 18 H 3.5117 -0.1592 -1.9977 H 1 UNL11111111 0.1469 19 H 4.6466 -0.3845 -0.6664 H 1 UNL11111111 0.1433 20 H 1.1220 -0.1506 -1.6068 H 1 UNL11111111 0.1683 21 H 0.9519 -1.4082 -0.3795 H 1 UNL11111111 0.1583 22 H -2.3015 -2.1278 -0.9763 H 1 UNL11111111 0.1613 23 H -1.2952 -2.1444 0.4844 H 1 UNL11111111 0.1539 24 H -4.8857 -0.7456 0.4085 H 1 UNL11111111 0.1480 25 H -4.3973 0.9097 0.0011 H 1 UNL11111111 0.1581 26 H -4.2119 -0.3855 -1.1840 H 1 UNL11111111 0.1507 @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 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 9 22 1 23 9 23 1 24 12 24 1 25 12 25 1 26 12 26 1