@MOLECULE s-(2-aminoethyl) hydrogen sulfurothioate 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.6547 0.5905 0.4887 S.3 1 UNL1 -0.6971 2 S 1.6658 -0.0473 -0.0980 S.3 1 UNL1 2.4641 3 O 1.5371 0.0592 -1.5329 O.3 1 UNL1 -0.8956 4 O 1.5830 -1.3762 0.4662 O.3 1 UNL1 -0.8980 5 O 2.3847 0.9792 0.6097 O.3 1 UNL1 -0.8565 6 N -3.3046 0.7117 -0.4255 N.4 1 UNL1 -0.2783 7 C -3.0247 -0.6900 0.1175 C.3 1 UNL1 -0.1463 8 C -1.5269 -0.9643 0.0415 C.3 1 UNL1 -0.3006 9 H -3.3793 -0.7369 1.1742 H 1 UNL1 0.1729 10 H -3.6101 -1.4217 -0.4760 H 1 UNL1 0.1519 11 H -1.2192 -1.7660 0.7492 H 1 UNL1 0.1964 12 H -1.2019 -1.3039 -0.9566 H 1 UNL1 0.1748 13 H -4.2603 1.0131 -0.2347 H 1 UNL1 0.2665 14 H -3.1330 0.7406 -1.4429 H 1 UNL1 0.2884 15 H -2.5773 1.3845 0.0314 H 1 UNL1 0.3575 @BOND 1 3 2 1 2 14 6 1 3 12 8 1 4 10 7 1 5 6 13 1 6 6 15 1 7 6 7 1 8 2 4 1 9 2 1 1 10 2 5 1 11 8 7 1 12 8 1 1 13 8 11 1 14 7 9 1