@MOLECULE nosyl chloride 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -2.7068 -0.0962 -1.5260 Cl 1 UNL111111 -0.4214 2 S -2.2498 0.0314 0.4830 S.O2 1 UNL111111 2.1845 3 O -2.6955 1.3176 0.9166 O.2 1 UNL111111 -0.8045 4 O -2.6960 -1.1903 1.0737 O.2 1 UNL111111 -0.8041 5 O 4.2670 1.0632 -0.2161 O.2 1 UNL111111 -0.3759 6 O 4.2572 -1.0891 -0.1371 O.2 1 UNL111111 -0.3765 7 N 3.6940 -0.0081 -0.1164 N.pl3 1 UNL111111 0.5989 8 C -0.5045 0.0214 0.3282 C.ar 1 UNL111111 -0.3553 9 C 0.1818 1.2291 0.2107 C.ar 1 UNL111111 -0.0741 10 C 0.1747 -1.1959 0.3058 C.ar 1 UNL111111 -0.0740 11 C 2.2391 0.0021 0.0390 C.ar 1 UNL111111 -0.0195 12 C 1.5676 1.2254 0.0642 C.ar 1 UNL111111 -0.1204 13 C 1.5602 -1.2116 0.1591 C.ar 1 UNL111111 -0.1201 14 H -0.3474 2.1921 0.2355 H 1 UNL111111 0.1882 15 H -0.3601 -2.1508 0.4067 H 1 UNL111111 0.1878 16 H 2.1217 2.1658 -0.0303 H 1 UNL111111 0.1931 17 H 2.1089 -2.1598 0.1378 H 1 UNL111111 0.1933 @BOND 1 1 2 1 2 5 7 2 3 6 7 2 4 7 11 1 5 16 12 1 6 11 12 ar 7 11 13 ar 8 12 9 ar 9 17 13 1 10 13 10 ar 11 9 14 1 12 9 8 ar 13 10 8 ar 14 10 15 1 15 8 2 1 16 2 3 2 17 2 4 2