@MOLECULE (2S)-2-isopropylsulfanyl-1,1-dimethyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3161 -0.3148 0.1374 C.3 1 UNL11111111 -0.0810 2 C 2.6580 -0.9936 -1.1817 C.3 1 UNL11111111 -0.4553 3 C 3.4589 0.5717 0.6153 C.3 1 UNL11111111 -0.4476 4 S 0.8166 0.7732 -0.0332 S.3 1 UNL11111111 -0.1086 5 C -0.5204 -0.4589 -0.1422 C.3 1 UNL11111111 -0.1946 6 H -0.3238 -1.1175 -1.0047 H 1 UNL11111111 0.1506 7 C -1.9819 0.1181 -0.1618 C.3 1 UNL11111111 0.1144 8 C -2.1477 1.6082 0.0716 C.3 1 UNL11111111 -0.4635 9 C -2.7452 -0.3154 -1.4058 C.3 1 UNL11111111 -0.4676 10 C -2.3071 -0.7396 1.1062 C.3 1 UNL11111111 -0.3046 11 C -0.8443 -1.2438 1.1532 C.3 1 UNL11111111 -0.2875 12 H 2.0840 -1.0844 0.9094 H 1 UNL11111111 0.1421 13 H 2.8691 -0.2681 -1.9790 H 1 UNL11111111 0.1591 14 H 3.5525 -1.6223 -1.0775 H 1 UNL11111111 0.1489 15 H 1.8525 -1.6453 -1.5405 H 1 UNL11111111 0.1456 16 H 3.7225 1.3469 -0.1168 H 1 UNL11111111 0.1564 17 H 3.2286 1.0814 1.5608 H 1 UNL11111111 0.1559 18 H 4.3651 -0.0242 0.7874 H 1 UNL11111111 0.1481 19 H -1.7504 2.1995 -0.7633 H 1 UNL11111111 0.1572 20 H -3.2075 1.8708 0.1795 H 1 UNL11111111 0.1472 21 H -1.6420 1.9470 0.9851 H 1 UNL11111111 0.1592 22 H -2.6784 -1.3961 -1.5735 H 1 UNL11111111 0.1462 23 H -3.8091 -0.0627 -1.3260 H 1 UNL11111111 0.1505 24 H -2.3542 0.1825 -2.3018 H 1 UNL11111111 0.1531 25 H -2.6137 -0.1564 1.9771 H 1 UNL11111111 0.1451 26 H -3.0527 -1.5197 0.9440 H 1 UNL11111111 0.1414 27 H -0.7326 -2.3276 1.0608 H 1 UNL11111111 0.1387 28 H -0.2968 -0.9281 2.0469 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 1 6 5 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 5 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 8 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1