@MOLECULE 3'-thiothymidine 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.3263 -0.6205 0.0239 S.3 1 UNL111111111 -0.1775 2 O -1.2682 0.6030 -1.0887 O.3 1 UNL111111111 -0.3835 3 O -0.9298 3.0359 0.2050 O.3 1 UNL111111111 -0.5309 4 O 0.8076 -2.7533 0.0036 O.2 1 UNL111111111 -0.5328 5 O 4.5608 -0.2877 0.6009 O.2 1 UNL111111111 -0.4765 6 N 0.6733 -0.5137 -0.4335 N.ar 1 UNL111111111 -0.5155 7 N 2.7064 -1.5181 0.3078 N.ar 1 UNL111111111 -0.6249 8 C -2.6400 -0.2377 0.6562 C.3 1 UNL111111111 -0.2007 9 C -0.7560 -0.6764 -0.8318 C.3 1 UNL111111111 0.3207 10 C -1.6077 -1.3100 0.2891 C.3 1 UNL111111111 -0.3384 11 C -2.1200 1.0375 -0.0330 C.3 1 UNL111111111 0.0990 12 C -1.3290 1.9062 0.9612 C.3 1 UNL111111111 -0.0625 13 C 1.3130 0.7103 -0.5593 C.ar 1 UNL111111111 0.1281 14 C 1.3676 -1.6758 -0.0411 C.ar 1 UNL111111111 0.7008 15 C 2.6214 0.8542 -0.2272 C.ar 1 UNL111111111 -0.2573 16 C 3.4045 -0.2765 0.2514 C.ar 1 UNL111111111 0.6072 17 C 3.3362 2.1499 -0.3369 C.3 1 UNL111111111 -0.3997 18 H -2.7058 -0.1102 1.7573 H 1 UNL111111111 0.1601 19 H -0.7947 -1.2164 -1.8101 H 1 UNL111111111 0.1659 20 H -0.9966 -1.5996 1.1664 H 1 UNL111111111 0.1801 21 H -2.0446 -2.2652 -0.0578 H 1 UNL111111111 0.1836 22 H -2.8735 1.6568 -0.5736 H 1 UNL111111111 0.1794 23 H -0.4268 1.3927 1.3396 H 1 UNL111111111 0.1364 24 H -1.9640 2.2262 1.8057 H 1 UNL111111111 0.1235 25 H 0.6981 1.5510 -0.9330 H 1 UNL111111111 0.2134 26 H -4.6604 -1.5947 0.8813 H 1 UNL111111111 0.1605 27 H 3.2174 -2.3526 0.6067 H 1 UNL111111111 0.3460 28 H -0.5515 3.7200 0.7939 H 1 UNL111111111 0.3143 29 H 3.7303 2.4720 0.6411 H 1 UNL111111111 0.1634 30 H 2.7025 2.9585 -0.7226 H 1 UNL111111111 0.1495 31 H 4.2085 2.0668 -1.0078 H 1 UNL111111111 0.1682 @BOND 1 1 8 1 2 1 26 1 3 2 9 1 4 2 11 1 5 3 12 1 6 3 28 1 7 4 14 2 8 5 16 2 9 6 9 1 10 6 13 ar 11 6 14 ar 12 7 14 ar 13 7 16 ar 14 7 27 1 15 8 10 1 16 8 11 1 17 8 18 1 18 9 10 1 19 9 19 1 20 10 20 1 21 10 21 1 22 11 12 1 23 11 22 1 24 12 23 1 25 12 24 1 26 13 15 ar 27 13 25 1 28 15 16 ar 29 15 17 1 30 17 29 1 31 17 30 1 32 17 31 1