@MOLECULE S-(2,2-dimethylbutyl) pentanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3060 -0.5054 0.0005 C.3 1 UNL11111111 -0.4395 2 C 5.1113 0.4484 -0.0022 C.3 1 UNL11111111 -0.2515 3 C 3.7949 -0.3370 -0.0010 C.3 1 UNL11111111 -0.2519 4 C 2.5903 0.6139 0.0011 C.3 1 UNL11111111 -0.3712 5 C 1.3148 -0.1692 0.0008 C.2 1 UNL11111111 0.4422 6 O 1.2398 -1.3648 0.0010 O.2 1 UNL11111111 -0.4369 7 S -0.1927 0.8486 0.0004 S.3 1 UNL11111111 -0.1336 8 C -1.4833 -0.4602 0.0050 C.3 1 UNL11111111 -0.3307 9 C -2.9218 0.0992 -0.0001 C.3 1 UNL11111111 0.1189 10 C -3.1792 0.9406 1.2558 C.3 1 UNL11111111 -0.4661 11 C -3.1727 0.9361 -1.2602 C.3 1 UNL11111111 -0.4661 12 C -3.8504 -1.1494 -0.0008 C.3 1 UNL11111111 -0.2783 13 C -5.3425 -0.8216 -0.0010 C.3 1 UNL11111111 -0.4317 14 H 7.2537 0.0439 -0.0147 H 1 UNL11111111 0.1405 15 H 6.3094 -1.1423 0.8925 H 1 UNL11111111 0.1452 16 H 6.2950 -1.1665 -0.8738 H 1 UNL11111111 0.1454 17 H 5.1598 1.1149 0.8796 H 1 UNL11111111 0.1338 18 H 5.1601 1.1114 -0.8867 H 1 UNL11111111 0.1338 19 H 3.7470 -1.0076 -0.8817 H 1 UNL11111111 0.1518 20 H 3.7494 -1.0102 0.8780 H 1 UNL11111111 0.1519 21 H 2.6393 1.2849 0.8863 H 1 UNL11111111 0.1779 22 H 2.6385 1.2872 -0.8827 H 1 UNL11111111 0.1779 23 H -1.3201 -1.1106 -0.8761 H 1 UNL11111111 0.1680 24 H -1.3235 -1.0996 0.8947 H 1 UNL11111111 0.1678 25 H -2.5751 1.8542 1.2753 H 1 UNL11111111 0.1530 26 H -4.2262 1.2603 1.3114 H 1 UNL11111111 0.1483 27 H -2.9582 0.3789 2.1697 H 1 UNL11111111 0.1477 28 H -2.9545 0.3670 -2.1701 H 1 UNL11111111 0.1477 29 H -4.2185 1.2596 -1.3177 H 1 UNL11111111 0.1482 30 H -2.5638 1.8461 -1.2858 H 1 UNL11111111 0.1531 31 H -3.6169 -1.7743 -0.8850 H 1 UNL11111111 0.1382 32 H -3.6174 -1.7736 0.8837 H 1 UNL11111111 0.1382 33 H -5.9415 -1.7401 -0.0166 H 1 UNL11111111 0.1414 34 H -5.6356 -0.2572 0.8909 H 1 UNL11111111 0.1433 35 H -5.6314 -0.2304 -0.8769 H 1 UNL11111111 0.1434 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 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 8 23 1 23 8 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1