@MOLECULE 3,3-dimethylbutyl-methyl-propyl-sulfonium 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7952 -1.5639 0.8385 C.3 1 UNL111 -0.4650 2 C -2.7591 -0.3163 -0.0569 C.3 1 UNL111 0.1257 3 C -2.6974 -0.7390 -1.5328 C.3 1 UNL111 -0.4664 4 C -4.0459 0.4996 0.1740 C.3 1 UNL111 -0.4680 5 C -1.5547 0.5869 0.3039 C.3 1 UNL111 -0.2987 6 C -0.2118 -0.1147 0.1405 C.3 1 UNL111 -0.1379 7 S 1.1533 1.0779 0.5473 S.3 1 UNL111 -0.3286 8 C 1.6055 2.0411 -0.9531 C.3 1 UNL111 -0.3190 9 C 2.6015 -0.0606 0.7293 C.3 1 UNL111 -0.1860 10 C 2.9784 -0.8453 -0.5235 C.3 1 UNL111 -0.2752 11 C 4.1026 -1.8336 -0.2001 C.3 1 UNL111 -0.4385 12 H -1.9522 -2.2316 0.6375 H 1 UNL111 0.1421 13 H -2.7581 -1.2923 1.8988 H 1 UNL111 0.1466 14 H -3.7117 -2.1406 0.6766 H 1 UNL111 0.1426 15 H -3.5933 -1.2980 -1.8219 H 1 UNL111 0.1439 16 H -2.6240 0.1318 -2.1922 H 1 UNL111 0.1439 17 H -1.8348 -1.3812 -1.7343 H 1 UNL111 0.1414 18 H -4.1387 0.8083 1.2203 H 1 UNL111 0.1449 19 H -4.0611 1.4044 -0.4417 H 1 UNL111 0.1434 20 H -4.9370 -0.0842 -0.0767 H 1 UNL111 0.1421 21 H -1.5915 1.5015 -0.3203 H 1 UNL111 0.1463 22 H -1.6683 0.9448 1.3484 H 1 UNL111 0.1564 23 H -0.1119 -0.9609 0.8402 H 1 UNL111 0.1342 24 H -0.0678 -0.4862 -0.8858 H 1 UNL111 0.1206 25 H 0.8430 2.8171 -1.0765 H 1 UNL111 0.1510 26 H 2.5760 2.5136 -0.7854 H 1 UNL111 0.1420 27 H 1.6395 1.4140 -1.8441 H 1 UNL111 0.1256 28 H 3.4378 0.5762 1.0671 H 1 UNL111 0.1425 29 H 2.3442 -0.7350 1.5646 H 1 UNL111 0.1416 30 H 2.1085 -1.3963 -0.9292 H 1 UNL111 0.1365 31 H 3.3079 -0.1629 -1.3311 H 1 UNL111 0.1373 32 H 4.4102 -2.3910 -1.0920 H 1 UNL111 0.1436 33 H 4.9892 -1.3191 0.1874 H 1 UNL111 0.1445 34 H 3.7899 -2.5648 0.5538 H 1 UNL111 0.1447 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 6 23 1 23 6 24 1 24 8 25 1 25 8 26 1 26 8 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 11 34 1