@MOLECULE S-tert-butyl 3,3-dimethylbutanethioate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9120 0.8368 -1.2570 C.3 1 UNL11111111 -0.4736 2 C -2.8322 -0.0343 0.0022 C.3 1 UNL11111111 0.1603 3 C -2.9110 0.8410 1.2586 C.3 1 UNL11111111 -0.4737 4 C -4.0104 -1.0273 0.0034 C.3 1 UNL11111111 -0.4736 5 C -1.5216 -0.8635 0.0054 C.3 1 UNL11111111 -0.4029 6 C -0.2750 -0.0390 -0.0056 C.2 1 UNL11111111 0.4744 7 O -0.2038 1.1552 -0.0106 O.2 1 UNL11111111 -0.4449 8 S 1.2277 -1.0757 -0.0096 S.3 1 UNL11111111 -0.2412 9 C 2.6823 0.1176 0.0030 C.3 1 UNL11111111 0.1528 10 C 2.6272 0.9789 1.2582 C.3 1 UNL11111111 -0.4775 11 C 3.9190 -0.7781 0.0148 C.3 1 UNL11111111 -0.4738 12 C 2.6500 0.9798 -1.2524 C.3 1 UNL11111111 -0.4771 13 H -2.1226 1.6006 -1.2669 H 1 UNL11111111 0.1671 14 H -2.8093 0.2423 -2.1695 H 1 UNL11111111 0.1426 15 H -3.8687 1.3668 -1.3122 H 1 UNL11111111 0.1463 16 H -3.8582 1.3888 1.3013 H 1 UNL11111111 0.1464 17 H -2.8299 0.2475 2.1739 H 1 UNL11111111 0.1424 18 H -2.1077 1.5900 1.2757 H 1 UNL11111111 0.1668 19 H -4.0016 -1.6654 -0.8857 H 1 UNL11111111 0.1444 20 H -3.9909 -1.6767 0.8839 H 1 UNL11111111 0.1442 21 H -4.9689 -0.4967 0.0125 H 1 UNL11111111 0.1488 22 H -1.5261 -1.5306 0.8969 H 1 UNL11111111 0.1817 23 H -1.5310 -1.5484 -0.8720 H 1 UNL11111111 0.1816 24 H 2.6086 0.3844 2.1797 H 1 UNL11111111 0.1562 25 H 3.5054 1.6353 1.3200 H 1 UNL11111111 0.1533 26 H 1.7449 1.6370 1.2724 H 1 UNL11111111 0.1728 27 H 3.9836 -1.4224 -0.8718 H 1 UNL11111111 0.1586 28 H 4.8329 -0.1675 0.0252 H 1 UNL11111111 0.1566 29 H 3.9660 -1.4259 0.9001 H 1 UNL11111111 0.1587 30 H 1.7693 1.6395 -1.2806 H 1 UNL11111111 0.1727 31 H 3.5300 1.6353 -1.2979 H 1 UNL11111111 0.1532 32 H 2.6463 0.3868 -2.1752 H 1 UNL11111111 0.1563 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1