@MOLECULE 3,3-dimethylbutanoyl(dimethyl)sulfonium 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3213 0.9684 -1.0969 C.3 1 UNL111 -0.4727 2 C -2.1970 -0.1407 -0.0448 C.3 1 UNL111 0.1572 3 C -2.5306 0.4133 1.3453 C.3 1 UNL111 -0.4744 4 C -3.1798 -1.2773 -0.3859 C.3 1 UNL111 -0.4714 5 C -0.7678 -0.7389 -0.0648 C.3 1 UNL111 -0.4043 6 C 0.3174 0.2662 0.1439 C.2 1 UNL111 0.6120 7 O 0.2074 1.3688 0.5956 O.2 1 UNL111 -0.4808 8 S 1.9485 -0.2957 -0.4073 S.3 1 UNL111 -0.4389 9 C 2.8886 -1.5289 0.5553 C.3 1 UNL111 -0.2939 10 C 2.9702 1.2355 -0.2292 C.3 1 UNL111 -0.3096 11 H -1.6817 1.8265 -0.8490 H 1 UNL111 0.1647 12 H -2.0311 0.6178 -2.0922 H 1 UNL111 0.1454 13 H -3.3481 1.3421 -1.1614 H 1 UNL111 0.1454 14 H -3.5528 0.8038 1.3814 H 1 UNL111 0.1454 15 H -2.4394 -0.3508 2.1220 H 1 UNL111 0.1400 16 H -1.8606 1.2416 1.6161 H 1 UNL111 0.1702 17 H -2.9870 -1.6922 -1.3804 H 1 UNL111 0.1447 18 H -3.1165 -2.0956 0.3376 H 1 UNL111 0.1420 19 H -4.2135 -0.9159 -0.3791 H 1 UNL111 0.1467 20 H -0.6873 -1.5273 0.7146 H 1 UNL111 0.1728 21 H -0.6167 -1.2717 -1.0316 H 1 UNL111 0.1877 22 H 2.3079 -2.4566 0.5733 H 1 UNL111 0.1458 23 H 3.8385 -1.7117 0.0424 H 1 UNL111 0.1460 24 H 3.0749 -1.1854 1.5752 H 1 UNL111 0.1332 25 H 2.7696 1.7210 0.7304 H 1 UNL111 0.1504 26 H 4.0262 0.9774 -0.3166 H 1 UNL111 0.1402 27 H 2.6869 1.9164 -1.0390 H 1 UNL111 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 8 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 3 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1