@MOLECULE S-propyl (1S)-2,2-dimethylcyclobutanecarbothioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4187 -0.5314 -0.2510 C.3 1 UNL111111 0.1355 2 C -2.9344 -1.8026 0.4003 C.3 1 UNL111111 -0.4691 3 C -1.8358 -0.8157 -1.6223 C.3 1 UNL111111 -0.4784 4 C -3.4479 0.6445 -0.2502 C.3 1 UNL111111 -0.3092 5 C -2.5105 1.4825 0.6491 C.3 1 UNL111111 -0.2586 6 C -1.4930 0.3093 0.7181 C.3 1 UNL111111 -0.2636 7 H -1.4368 -0.1372 1.7290 H 1 UNL111111 0.1735 8 C -0.1480 0.6410 0.1783 C.2 1 UNL111111 0.4447 9 O 0.1299 1.6216 -0.4519 O.2 1 UNL111111 -0.4375 10 S 1.1322 -0.5959 0.5629 S.3 1 UNL111111 -0.1504 11 C 2.5948 0.0988 -0.3110 C.3 1 UNL111111 -0.2889 12 C 3.8767 -0.4596 0.2969 C.3 1 UNL111111 -0.2465 13 C 5.0913 0.1515 -0.4069 C.3 1 UNL111111 -0.4389 14 H -2.1267 -2.5300 0.5525 H 1 UNL111111 0.1567 15 H -3.3897 -1.6088 1.3784 H 1 UNL111111 0.1488 16 H -3.6956 -2.2864 -0.2238 H 1 UNL111111 0.1514 17 H -2.6072 -1.1918 -2.3059 H 1 UNL111111 0.1532 18 H -1.4099 0.0850 -2.0847 H 1 UNL111111 0.1609 19 H -1.0446 -1.5745 -1.5824 H 1 UNL111111 0.1594 20 H -3.6380 1.0781 -1.2348 H 1 UNL111111 0.1475 21 H -4.4125 0.3999 0.1987 H 1 UNL111111 0.1424 22 H -2.1179 2.3879 0.1694 H 1 UNL111111 0.1624 23 H -2.9315 1.7680 1.6156 H 1 UNL111111 0.1410 24 H 2.5221 -0.1491 -1.3857 H 1 UNL111111 0.1601 25 H 2.5708 1.2054 -0.2461 H 1 UNL111111 0.1743 26 H 3.9328 -0.2423 1.3830 H 1 UNL111111 0.1476 27 H 3.9136 -1.5640 0.2074 H 1 UNL111111 0.1434 28 H 5.0841 -0.0596 -1.4822 H 1 UNL111111 0.1455 29 H 5.1218 1.2403 -0.2839 H 1 UNL111111 0.1476 30 H 6.0260 -0.2505 0.0002 H 1 UNL111111 0.1449 @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 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 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1