@MOLECULE amifostine 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 S 1.7096 0.9711 -0.0287 S.3 1 UNL111111 0.1989 2 P 3.3788 -0.2963 -0.0595 P.3 1 UNL111111 0.2804 3 O 3.5658 -0.5586 1.5070 O.3 1 UNL111111 -0.4102 4 O 4.5271 0.7744 -0.3934 O.3 1 UNL111111 -0.4036 5 O 3.4518 -1.5142 -0.8692 O.2 1 UNL111111 -0.3838 6 N -2.1732 -0.2113 -0.0436 N.3 1 UNL111111 -0.5461 7 N -7.0555 -0.6674 0.0755 N.3 1 UNL111111 -0.6436 8 C -3.4414 0.5527 0.0046 C.3 1 UNL111111 -0.1157 9 C -4.6179 -0.4335 -0.0447 C.3 1 UNL111111 -0.2997 10 C -0.9979 0.6862 -0.1683 C.3 1 UNL111111 -0.1055 11 C 0.2490 -0.1885 0.0241 C.3 1 UNL111111 -0.3093 12 C -5.9513 0.3186 0.0948 C.3 1 UNL111111 -0.1007 13 H -3.4577 1.1169 0.9647 H 1 UNL111111 0.1449 14 H -3.5281 1.2982 -0.8144 H 1 UNL111111 0.1094 15 H -4.5232 -1.1795 0.7741 H 1 UNL111111 0.1770 16 H -4.5994 -1.0221 -0.9788 H 1 UNL111111 0.1386 17 H -1.0696 1.4578 0.6334 H 1 UNL111111 0.1494 18 H -0.9739 1.2240 -1.1414 H 1 UNL111111 0.1198 19 H -2.1885 -0.8965 -0.7973 H 1 UNL111111 0.2549 20 H 0.2980 -0.9740 -0.7536 H 1 UNL111111 0.1694 21 H 0.1880 -0.7175 0.9985 H 1 UNL111111 0.1847 22 H -6.0459 1.0895 -0.6988 H 1 UNL111111 0.1049 23 H -5.9874 0.8483 1.0733 H 1 UNL111111 0.1427 24 H -7.0822 -1.1860 -0.7860 H 1 UNL111111 0.2465 25 H -7.9494 -0.2298 0.2216 H 1 UNL111111 0.2477 26 H 4.2962 -1.2437 1.6806 H 1 UNL111111 0.3195 27 H 5.2851 0.3043 -0.8904 H 1 UNL111111 0.3295 @BOND 1 18 10 1 2 16 9 1 3 27 4 1 4 5 2 2 5 14 8 1 6 19 6 1 7 24 7 1 8 20 11 1 9 22 12 1 10 4 2 1 11 10 6 1 12 10 11 1 13 10 17 1 14 2 1 1 15 2 3 1 16 9 8 1 17 9 12 1 18 9 15 1 19 6 8 1 20 1 11 1 21 8 13 1 22 11 21 1 23 7 12 1 24 7 25 1 25 12 23 1 26 3 26 1