@MOLECULE n,s-diacetylcysteamine 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7044 0.8921 0.0014 S.3 1 UNL1111111111 -0.1111 2 O 2.8692 0.0438 1.3890 O.2 1 UNL1111111111 -0.5251 3 O -2.5334 -1.6068 -0.2138 O.2 1 UNL1111111111 -0.4282 4 N 2.2598 0.3395 -0.7667 N.am 1 UNL1111111111 -0.6232 5 C 1.0187 1.0217 -0.3889 C.3 1 UNL1111111111 -0.0514 6 C -0.1466 0.0219 -0.4097 C.3 1 UNL1111111111 -0.3458 7 C 3.1047 -0.1539 0.2165 C.2 1 UNL1111111111 0.6103 8 C 4.3080 -0.9052 -0.2804 C.3 1 UNL1111111111 -0.5295 9 C -2.8867 -0.4909 0.0383 C.2 1 UNL1111111111 0.4591 10 C -4.2747 -0.0948 0.3979 C.3 1 UNL1111111111 -0.5348 11 H 0.8497 1.8671 -1.0946 H 1 UNL1111111111 0.1428 12 H 1.1435 1.4660 0.6330 H 1 UNL1111111111 0.1809 13 H 0.0329 -0.7939 0.3217 H 1 UNL1111111111 0.1859 14 H -0.2397 -0.4706 -1.3947 H 1 UNL1111111111 0.1666 15 H 2.3905 0.1265 -1.7380 H 1 UNL1111111111 0.3078 16 H 4.9839 -1.1304 0.5620 H 1 UNL1111111111 0.1893 17 H 4.0268 -1.8657 -0.7327 H 1 UNL1111111111 0.1752 18 H 4.8857 -0.3325 -1.0161 H 1 UNL1111111111 0.1714 19 H -4.6945 0.6533 -0.2928 H 1 UNL1111111111 0.1851 20 H -4.3381 0.3298 1.4133 H 1 UNL1111111111 0.1887 21 H -4.9507 -0.9676 0.3745 H 1 UNL1111111111 0.1861 @BOND 1 1 6 1 2 1 9 1 3 2 7 2 4 3 9 2 5 4 5 1 6 4 7 am 7 4 15 1 8 5 6 1 9 5 11 1 10 5 12 1 11 6 13 1 12 6 14 1 13 7 8 1 14 8 16 1 15 8 17 1 16 8 18 1 17 9 10 1 18 10 19 1 19 10 20 1 20 10 21 1