@MOLECULE S-(2,2-dimethylbutyl) (1R,2S)-2-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4185 -0.9534 -0.2563 C.3 1 UNL111 -0.0541 2 H -3.6755 -1.5430 -1.1542 H 1 UNL111 0.1378 3 C -2.7420 -1.8259 0.7786 C.3 1 UNL111 -0.4656 4 C -4.6188 -0.1240 0.2887 C.3 1 UNL111 -0.2957 5 C -3.8785 1.1906 -0.0550 C.3 1 UNL111 -0.2586 6 C -2.6842 0.3835 -0.6405 C.3 1 UNL111 -0.2474 7 H -2.5897 0.5069 -1.7359 H 1 UNL111 0.1696 8 C -1.3931 0.6117 0.0652 C.2 1 UNL111 0.4438 9 O -1.2619 1.1729 1.1161 O.2 1 UNL111 -0.4389 10 S 0.0567 -0.0436 -0.8154 S.3 1 UNL111 -0.1346 11 C 1.3892 0.3226 0.3966 C.3 1 UNL111 -0.3275 12 C 2.7938 -0.0697 -0.1090 C.3 1 UNL111 0.1212 13 C 2.8703 -1.5770 -0.3817 C.3 1 UNL111 -0.4662 14 C 3.1521 0.7158 -1.3762 C.3 1 UNL111 -0.4659 15 C 3.7669 0.3088 1.0445 C.3 1 UNL111 -0.2795 16 C 5.2351 0.0041 0.7525 C.3 1 UNL111 -0.4321 17 H -3.4205 -2.6120 1.1338 H 1 UNL111 0.1510 18 H -1.8529 -2.3258 0.3734 H 1 UNL111 0.1581 19 H -2.4265 -1.2527 1.6613 H 1 UNL111 0.1603 20 H -5.5549 -0.2765 -0.2519 H 1 UNL111 0.1386 21 H -4.8189 -0.2636 1.3543 H 1 UNL111 0.1483 22 H -4.3864 1.8316 -0.7784 H 1 UNL111 0.1407 23 H -3.6203 1.8022 0.8186 H 1 UNL111 0.1626 24 H 1.3535 1.4031 0.6368 H 1 UNL111 0.1695 25 H 1.1578 -0.2104 1.3383 H 1 UNL111 0.1643 26 H 2.2180 -1.8848 -1.2062 H 1 UNL111 0.1536 27 H 3.8865 -1.8760 -0.6631 H 1 UNL111 0.1472 28 H 2.5873 -2.1615 0.4999 H 1 UNL111 0.1467 29 H 3.0544 1.7958 -1.2224 H 1 UNL111 0.1478 30 H 4.1852 0.5194 -1.6849 H 1 UNL111 0.1469 31 H 2.5165 0.4453 -2.2267 H 1 UNL111 0.1541 32 H 3.6589 1.3876 1.2694 H 1 UNL111 0.1384 33 H 3.4626 -0.2262 1.9652 H 1 UNL111 0.1376 34 H 5.8670 0.2834 1.6040 H 1 UNL111 0.1410 35 H 5.3996 -1.0619 0.5613 H 1 UNL111 0.1431 36 H 5.6002 0.5584 -0.1192 H 1 UNL111 0.1435 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 13 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1