@MOLECULE S-(2,2-dimethylpropyl) hexanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.7075 -0.3243 -0.0052 C.3 1 UNL11111111 -0.4412 2 C 5.4126 0.4880 0.0152 C.3 1 UNL11111111 -0.2497 3 C 4.1883 -0.4374 -0.0042 C.3 1 UNL11111111 -0.2732 4 C 2.8911 0.3776 0.0038 C.3 1 UNL11111111 -0.2544 5 C 1.6693 -0.5509 -0.0065 C.3 1 UNL11111111 -0.3676 6 C 0.4083 0.2545 -0.0048 C.2 1 UNL11111111 0.4431 7 O 0.3520 1.4510 -0.0083 O.2 1 UNL11111111 -0.4365 8 S -1.1138 -0.7406 0.0033 S.3 1 UNL11111111 -0.1393 9 C -2.3859 0.5854 0.0139 C.3 1 UNL11111111 -0.3251 10 C -3.8242 0.0393 0.0002 C.3 1 UNL11111111 0.1368 11 C -4.1089 -0.8156 1.2428 C.3 1 UNL11111111 -0.4682 12 C -4.7642 1.2639 0.0179 C.3 1 UNL11111111 -0.4681 13 C -4.1010 -0.7743 -1.2711 C.3 1 UNL11111111 -0.4681 14 H 6.7759 -0.9928 0.8602 H 1 UNL11111111 0.1420 15 H 6.7792 -0.9432 -0.9064 H 1 UNL11111111 0.1420 16 H 7.5866 0.3295 0.0146 H 1 UNL11111111 0.1420 17 H 5.3855 1.1340 0.9133 H 1 UNL11111111 0.1364 18 H 5.3837 1.1750 -0.8519 H 1 UNL11111111 0.1366 19 H 4.2250 -1.0885 -0.8974 H 1 UNL11111111 0.1368 20 H 4.2190 -1.1163 0.8685 H 1 UNL11111111 0.1367 21 H 2.8559 1.0407 0.8906 H 1 UNL11111111 0.1515 22 H 2.8571 1.0594 -0.8691 H 1 UNL11111111 0.1519 23 H 1.7078 -1.2174 -0.8959 H 1 UNL11111111 0.1782 24 H 1.7032 -1.2309 0.8727 H 1 UNL11111111 0.1781 25 H -2.2242 1.2196 0.9070 H 1 UNL11111111 0.1682 26 H -2.2154 1.2426 -0.8609 H 1 UNL11111111 0.1689 27 H -3.8433 -0.2880 2.1652 H 1 UNL11111111 0.1485 28 H -5.1719 -1.0743 1.3067 H 1 UNL11111111 0.1466 29 H -3.5551 -1.7606 1.2340 H 1 UNL11111111 0.1534 30 H -4.6059 1.9044 -0.8559 H 1 UNL11111111 0.1478 31 H -5.8145 0.9538 0.0097 H 1 UNL11111111 0.1495 32 H -4.6116 1.8756 0.9132 H 1 UNL11111111 0.1477 33 H -3.5546 -1.7236 -1.2849 H 1 UNL11111111 0.1535 34 H -5.1653 -1.0215 -1.3554 H 1 UNL11111111 0.1466 35 H -3.8203 -0.2208 -2.1737 H 1 UNL11111111 0.1486 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 9 25 1 25 9 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 32 13 33 1 33 13 34 1 34 13 35 1