@MOLECULE S-(1,1-dimethylbutyl) ethanethioate 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.2299 -1.4292 0.0049 C.3 1 UNL11111111 -0.5353 2 C 2.2662 -0.2938 0.0790 C.2 1 UNL11111111 0.4778 3 O 2.5695 0.8244 0.3834 O.2 1 UNL11111111 -0.4462 4 S 0.5676 -0.7785 -0.3303 S.3 1 UNL11111111 -0.2109 5 C -0.4881 0.7582 -0.0948 C.3 1 UNL11111111 0.1206 6 C -0.3785 1.2430 1.3439 C.3 1 UNL11111111 -0.4753 7 C -0.0081 1.8425 -1.0570 C.3 1 UNL11111111 -0.4799 8 C -1.9228 0.3522 -0.4680 C.3 1 UNL11111111 -0.3030 9 C -2.5704 -0.6908 0.4524 C.3 1 UNL11111111 -0.2484 10 C -4.0201 -0.9390 0.0299 C.3 1 UNL11111111 -0.4411 11 H 3.0634 -2.1556 0.8171 H 1 UNL11111111 0.1867 12 H 3.1709 -1.9834 -0.9443 H 1 UNL11111111 0.1853 13 H 4.2680 -1.0690 0.1052 H 1 UNL11111111 0.1837 14 H 0.6312 1.6166 1.5768 H 1 UNL11111111 0.1728 15 H -1.0711 2.0751 1.5294 H 1 UNL11111111 0.1555 16 H -0.6129 0.4642 2.0797 H 1 UNL11111111 0.1566 17 H -0.0329 1.5227 -2.1057 H 1 UNL11111111 0.1561 18 H -0.6366 2.7396 -0.9798 H 1 UNL11111111 0.1544 19 H 1.0204 2.1682 -0.8376 H 1 UNL11111111 0.1748 20 H -2.5509 1.2696 -0.4599 H 1 UNL11111111 0.1511 21 H -1.9622 -0.0057 -1.5174 H 1 UNL11111111 0.1519 22 H -2.0128 -1.6464 0.4298 H 1 UNL11111111 0.1463 23 H -2.5400 -0.3490 1.5042 H 1 UNL11111111 0.1383 24 H -4.6206 -0.0250 0.0919 H 1 UNL11111111 0.1421 25 H -4.0797 -1.3064 -1.0007 H 1 UNL11111111 0.1436 26 H -4.4956 -1.6890 0.6720 H 1 UNL11111111 0.1427 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 6 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1