@MOLECULE 4-acetamidobenzenesulfonyl chloride 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.0573 -0.2032 -1.5451 Cl 1 UNL111111 -0.4544 2 S -2.5878 -0.0705 0.4746 S.O2 1 UNL111111 2.2260 3 O -3.2104 1.1378 0.9268 O.2 1 UNL111111 -0.8291 4 O -2.9075 -1.3510 1.0288 O.2 1 UNL111111 -0.8221 5 O 4.0309 -1.4390 0.0278 O.2 1 UNL111111 -0.4741 6 N 3.2568 0.7090 -0.0921 N.am 1 UNL111111 -0.5926 7 C -0.8785 0.1336 0.3320 C.ar 1 UNL111111 -0.4798 8 C 1.8843 0.4610 0.0570 C.ar 1 UNL111111 0.3000 9 C -0.0330 -0.9796 0.3376 C.ar 1 UNL111111 0.0114 10 C -0.3391 1.4150 0.1924 C.ar 1 UNL111111 0.0142 11 C 1.3394 -0.8254 0.2024 C.ar 1 UNL111111 -0.2686 12 C 1.0287 1.5860 0.0550 C.ar 1 UNL111111 -0.3085 13 C 4.2738 -0.2660 -0.1012 C.2 1 UNL111111 0.6136 14 C 5.6553 0.2909 -0.2827 C.3 1 UNL111111 -0.5288 15 H -0.4389 -1.9950 0.4527 H 1 UNL111111 0.1781 16 H -0.9875 2.3021 0.1932 H 1 UNL111111 0.1738 17 H 1.9808 -1.7107 0.2093 H 1 UNL111111 0.2052 18 H 1.4383 2.5862 -0.0545 H 1 UNL111111 0.1606 19 H 3.5302 1.6833 -0.2025 H 1 UNL111111 0.3155 20 H 5.7705 0.8182 -1.2402 H 1 UNL111111 0.1812 21 H 6.3955 -0.5302 -0.2791 H 1 UNL111111 0.1978 22 H 5.9389 0.9783 0.5266 H 1 UNL111111 0.1807 @BOND 1 1 2 1 2 20 14 1 3 14 21 1 4 14 13 1 5 14 22 1 6 19 6 1 7 13 6 am 8 13 5 2 9 6 8 1 10 18 12 1 11 12 8 ar 12 12 10 ar 13 8 11 ar 14 10 16 1 15 10 7 ar 16 11 17 1 17 11 9 ar 18 7 9 ar 19 7 2 1 20 9 15 1 21 2 3 2 22 2 4 2