@MOLECULE S-propyl 2-methylpropanethioate 23 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2816 0.1480 0.3617 C.3 1 UNL111111 -0.1515 2 C 2.7717 -1.1210 1.0633 C.3 1 UNL111111 -0.4404 3 C 3.1965 0.5298 -0.8050 C.3 1 UNL111111 -0.4404 4 C 0.9097 -0.1368 -0.2055 C.2 1 UNL111111 0.4279 5 O 0.6572 -1.0429 -0.9462 O.2 1 UNL111111 -0.4323 6 S -0.3773 1.0358 0.3136 S.3 1 UNL111111 -0.1477 7 C -1.8926 0.3707 -0.4803 C.3 1 UNL111111 -0.2987 8 C -2.8942 -0.1189 0.5615 C.3 1 UNL111111 -0.2451 9 C -4.1073 -0.7415 -0.1345 C.3 1 UNL111111 -0.4398 10 H 2.2655 0.9870 1.1010 H 1 UNL111111 0.1631 11 H 3.7957 -0.9975 1.4339 H 1 UNL111111 0.1519 12 H 2.1389 -1.3803 1.9205 H 1 UNL111111 0.1507 13 H 2.7707 -1.9831 0.3812 H 1 UNL111111 0.1642 14 H 3.2421 -0.2691 -1.5581 H 1 UNL111111 0.1624 15 H 2.8532 1.4405 -1.3103 H 1 UNL111111 0.1521 16 H 4.2206 0.7122 -0.4590 H 1 UNL111111 0.1526 17 H -2.3273 1.1748 -1.1029 H 1 UNL111111 0.1620 18 H -1.6193 -0.4516 -1.1755 H 1 UNL111111 0.1807 19 H -2.4337 -0.8676 1.2373 H 1 UNL111111 0.1474 20 H -3.2250 0.7124 1.2156 H 1 UNL111111 0.1428 21 H -4.5916 -0.0336 -0.8162 H 1 UNL111111 0.1443 22 H -3.8242 -1.6242 -0.7203 H 1 UNL111111 0.1485 23 H -4.8596 -1.0615 0.5957 H 1 UNL111111 0.1454 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 3 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 9 21 1 21 9 22 1 22 9 23 1