@MOLECULE propyl disulfide 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.8903 -0.9520 0.4494 S.3 1 UNL111111111 -0.0357 2 S 0.8902 -0.9522 -0.4494 S.3 1 UNL111111111 -0.0356 3 C -3.3102 0.3197 0.3441 C.3 1 UNL111111111 -0.2416 4 C 3.3102 0.3198 -0.3440 C.3 1 UNL111111111 -0.2416 5 C -1.9485 0.3232 -0.3469 C.3 1 UNL111111111 -0.3289 6 C 1.9485 0.3228 0.3471 C.3 1 UNL111111111 -0.3290 7 C -4.2172 1.3759 -0.2940 C.3 1 UNL111111111 -0.4379 8 C 4.2173 1.3760 0.2939 C.3 1 UNL111111111 -0.4379 9 H -3.7946 -0.6754 0.2683 H 1 UNL111111111 0.1471 10 H -3.2103 0.5269 1.4292 H 1 UNL111111111 0.1465 11 H 3.7948 -0.6752 -0.2689 H 1 UNL111111111 0.1471 12 H 3.2098 0.5273 -1.4290 H 1 UNL111111111 0.1464 13 H -2.0583 0.1058 -1.4253 H 1 UNL111111111 0.1610 14 H -1.4762 1.3183 -0.2701 H 1 UNL111111111 0.1538 15 H 2.0583 0.1051 1.4254 H 1 UNL111111111 0.1610 16 H 1.4759 1.3178 0.2709 H 1 UNL111111111 0.1538 17 H -4.3753 1.1808 -1.3606 H 1 UNL111111111 0.1454 18 H -5.2029 1.3896 0.1856 H 1 UNL111111111 0.1457 19 H -3.7936 2.3820 -0.1996 H 1 UNL111111111 0.1445 20 H 4.3757 1.1808 1.3605 H 1 UNL111111111 0.1454 21 H 5.2029 1.3897 -0.1859 H 1 UNL111111111 0.1457 22 H 3.7938 2.3821 0.1996 H 1 UNL111111111 0.1445 @BOND 1 12 4 1 2 13 5 1 3 17 7 1 4 2 6 1 5 2 1 1 6 5 14 1 7 5 3 1 8 5 1 1 9 4 11 1 10 4 8 1 11 4 6 1 12 7 19 1 13 7 18 1 14 7 3 1 15 21 8 1 16 22 8 1 17 9 3 1 18 16 6 1 19 8 20 1 20 3 10 1 21 6 15 1