@MOLECULE cyclobutyl-[(1S,2S)-2-methylcyclobutyl]methanethione 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0107 1.4052 -0.6386 C.3 1 UNL11111111111111 -0.2692 2 C -3.4084 0.7478 -0.5243 C.3 1 UNL11111111111111 -0.2698 3 C -2.8845 -0.1822 0.5993 C.3 1 UNL11111111111111 -0.2645 4 C -1.4818 0.4883 0.5140 C.3 1 UNL11111111111111 -0.1677 5 C -0.2872 -0.3149 0.1227 C.2 1 UNL11111111111111 0.0860 6 S -0.3270 -1.8835 -0.1895 S.2 1 UNL11111111111111 -0.1929 7 C 0.9461 0.5200 0.0652 C.3 1 UNL11111111111111 -0.1933 8 H 0.7359 1.4657 -0.4778 H 1 UNL11111111111111 0.1598 9 C 2.2995 -0.1057 -0.4141 C.3 1 UNL11111111111111 -0.0724 10 H 2.2513 -1.1933 -0.6010 H 1 UNL11111111111111 0.1590 11 C 2.9229 0.6056 -1.5982 C.3 1 UNL11111111111111 -0.4550 12 C 2.9378 0.2277 0.9658 C.3 1 UNL11111111111111 -0.2903 13 C 1.5841 0.7846 1.4675 C.3 1 UNL11111111111111 -0.2679 14 H -1.5195 1.2510 -1.6027 H 1 UNL11111111111111 0.1446 15 H -1.9846 2.4716 -0.4070 H 1 UNL11111111111111 0.1404 16 H -4.2067 1.4274 -0.2190 H 1 UNL11111111111111 0.1375 17 H -3.7349 0.2230 -1.4262 H 1 UNL11111111111111 0.1434 18 H -3.3747 -0.0500 1.5669 H 1 UNL11111111111111 0.1383 19 H -2.9233 -1.2477 0.3545 H 1 UNL11111111111111 0.1634 20 H -1.2583 1.0647 1.4365 H 1 UNL11111111111111 0.1565 21 H 3.0116 1.6857 -1.4348 H 1 UNL11111111111111 0.1451 22 H 3.9310 0.2227 -1.8003 H 1 UNL11111111111111 0.1488 23 H 2.3276 0.4559 -2.5078 H 1 UNL11111111111111 0.1501 24 H 3.3018 -0.6460 1.5115 H 1 UNL11111111111111 0.1432 25 H 3.7442 0.9629 0.9275 H 1 UNL11111111111111 0.1415 26 H 1.5998 1.8369 1.7589 H 1 UNL11111111111111 0.1404 27 H 1.1382 0.2104 2.2840 H 1 UNL11111111111111 0.1450 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 7 13 1 15 1 14 1 16 1 15 1 17 2 16 1 18 2 17 1 19 3 18 1 20 3 19 1 21 4 20 1 22 11 21 1 23 11 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 13 27 1