@MOLECULE n-butylbenzenesulfonamide 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.2492 -1.1886 0.0238 S.O2 1 UNL1111111 2.3288 2 O -0.1105 -1.6783 1.3765 O.2 1 UNL1111111 -0.9154 3 O -0.2819 -2.0767 -1.1160 O.2 1 UNL1111111 -0.9095 4 N 1.0868 -0.1140 -0.2820 N.3 1 UNL1111111 -0.8574 5 C 3.0925 1.1576 0.3953 C.3 1 UNL1111111 -0.2945 6 C 1.9262 0.2723 0.8704 C.3 1 UNL1111111 -0.0612 7 C 4.2494 0.3233 -0.1672 C.3 1 UNL1111111 -0.2519 8 C -1.6487 -0.1279 -0.0381 C.ar 1 UNL1111111 -0.3669 9 C 5.3907 1.2241 -0.6381 C.3 1 UNL1111111 -0.4449 10 C -2.2478 0.1638 -1.2618 C.ar 1 UNL1111111 -0.0625 11 C -2.1564 0.4157 1.1404 C.ar 1 UNL1111111 -0.0688 12 C -3.3521 1.0140 -1.3079 C.ar 1 UNL1111111 -0.1789 13 C -3.2604 1.2655 1.0918 C.ar 1 UNL1111111 -0.1805 14 C -3.8557 1.5668 -0.1322 C.ar 1 UNL1111111 -0.1022 15 H 3.4509 1.7742 1.2408 H 1 UNL1111111 0.1397 16 H 2.7328 1.8789 -0.3647 H 1 UNL1111111 0.1537 17 H 2.3148 -0.6107 1.4292 H 1 UNL1111111 0.1379 18 H 1.2916 0.8442 1.5860 H 1 UNL1111111 0.1382 19 H 3.8985 -0.3064 -1.0067 H 1 UNL1111111 0.1341 20 H 4.6191 -0.3812 0.6028 H 1 UNL1111111 0.1370 21 H 1.6394 -0.3445 -1.1067 H 1 UNL1111111 0.3016 22 H 6.2288 0.6337 -1.0259 H 1 UNL1111111 0.1454 23 H 5.0652 1.8984 -1.4384 H 1 UNL1111111 0.1434 24 H 5.7769 1.8442 0.1790 H 1 UNL1111111 0.1442 25 H -1.8700 -0.2729 -2.1926 H 1 UNL1111111 0.1708 26 H -1.7068 0.1770 2.1110 H 1 UNL1111111 0.1715 27 H -3.8206 1.2439 -2.2633 H 1 UNL1111111 0.1523 28 H -3.6586 1.6916 2.0100 H 1 UNL1111111 0.1513 29 H -4.7166 2.2324 -0.1689 H 1 UNL1111111 0.1447 @BOND 1 27 12 1 2 25 10 1 3 23 9 1 4 12 10 ar 5 12 14 ar 6 10 8 ar 7 3 1 2 8 21 4 1 9 22 9 1 10 19 7 1 11 9 7 1 12 9 24 1 13 16 5 1 14 4 1 1 15 4 6 1 16 29 14 1 17 7 5 1 18 7 20 1 19 14 13 ar 20 8 1 1 21 8 11 ar 22 1 2 2 23 5 6 1 24 5 15 1 25 6 17 1 26 6 18 1 27 13 11 ar 28 13 28 1 29 11 26 1