@MOLECULE 1-tert-butylsulfanyl-3-methyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5591 -0.9090 -0.4074 C.3 1 UNL111 -0.3057 2 C -2.8120 0.0173 -0.4416 C.3 1 UNL111 -0.0768 3 H -3.0592 0.3566 -1.4620 H 1 UNL111 0.1375 4 C -4.0363 -0.5421 0.2530 C.3 1 UNL111 -0.4532 5 C -2.0282 1.0914 0.3714 C.3 1 UNL111 -0.2922 6 C -0.7907 0.1585 0.4127 C.3 1 UNL111 -0.1483 7 H -0.5266 -0.1724 1.4286 H 1 UNL111 0.1469 8 S 0.6607 0.8989 -0.4056 S.3 1 UNL111 -0.1417 9 C 2.0885 -0.2151 0.0774 C.3 1 UNL111 0.1167 10 C 1.8436 -1.6329 -0.4302 C.3 1 UNL111 -0.4710 11 C 3.3095 0.3961 -0.6082 C.3 1 UNL111 -0.4629 12 C 2.2712 -0.2130 1.5926 C.3 1 UNL111 -0.4710 13 H -1.7074 -1.8561 0.1165 H 1 UNL111 0.1414 14 H -1.1486 -1.1368 -1.3950 H 1 UNL111 0.1529 15 H -3.8156 -0.8656 1.2770 H 1 UNL111 0.1472 16 H -4.8372 0.2052 0.3113 H 1 UNL111 0.1468 17 H -4.4361 -1.4100 -0.2853 H 1 UNL111 0.1467 18 H -1.9001 2.0427 -0.1532 H 1 UNL111 0.1538 19 H -2.4465 1.3163 1.3560 H 1 UNL111 0.1457 20 H 1.7384 -1.6693 -1.5227 H 1 UNL111 0.1583 21 H 2.6813 -2.2928 -0.1686 H 1 UNL111 0.1515 22 H 0.9404 -2.0819 0.0000 H 1 UNL111 0.1506 23 H 3.5188 1.4160 -0.2590 H 1 UNL111 0.1581 24 H 4.2083 -0.2001 -0.4030 H 1 UNL111 0.1509 25 H 3.2008 0.4379 -1.7003 H 1 UNL111 0.1582 26 H 1.4479 -0.7115 2.1169 H 1 UNL111 0.1471 27 H 3.1910 -0.7425 1.8754 H 1 UNL111 0.1523 28 H 2.3544 0.8033 2.0001 H 1 UNL111 0.1603 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 1 13 1 14 1 14 1 15 4 15 1 16 4 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1