@MOLECULE (3r)-1,1-dioxido-2,3-dihydro-3-thiophenyl benzenesulfonate 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.3802 1.0500 -0.6962 C.3 1 UNL11111 -0.6370 2 O -4.1571 -0.6675 0.2741 O.2 1 UNL11111 -0.8962 3 S -2.7500 -0.5930 -0.0414 S.O2 1 UNL11111 2.2113 4 C -1.8057 -0.3794 1.4384 C.2 1 UNL11111 -0.4688 5 O -2.1369 -1.6056 -0.8706 O.2 1 UNL11111 -0.8992 6 S 1.4936 1.4883 -0.1775 S.O2 1 UNL11111 2.3756 7 C -1.0969 0.7454 1.4112 C.2 1 UNL11111 -0.1506 8 O -0.0930 1.3731 -0.6930 O.3 1 UNL11111 -0.7558 9 C -1.2060 1.5834 0.1415 C.3 1 UNL11111 0.2292 10 O 1.4385 2.0297 1.1600 O.2 1 UNL11111 -0.9272 11 C 1.8982 -0.2062 -0.1054 C.ar 1 UNL11111 -0.4033 12 O 2.2068 2.1592 -1.2239 O.2 1 UNL11111 -0.8440 13 C 1.2923 -1.1162 -0.9705 C.ar 1 UNL11111 -0.0449 14 C 1.6050 -2.4729 -0.8802 C.ar 1 UNL11111 -0.1642 15 C 2.5253 -2.9154 0.0664 C.ar 1 UNL11111 -0.0982 16 C 3.1334 -2.0029 0.9293 C.ar 1 UNL11111 -0.1803 17 C 2.8180 -0.6491 0.8461 C.ar 1 UNL11111 -0.0776 18 H -2.0982 1.0056 -1.7688 H 1 UNL11111 0.2103 19 H -3.2568 1.7140 -0.6513 H 1 UNL11111 0.1845 20 H -1.2809 2.6727 0.3574 H 1 UNL11111 0.1433 21 H 0.5532 -0.7969 -1.7166 H 1 UNL11111 0.1809 22 H 1.1143 -3.1836 -1.5458 H 1 UNL11111 0.1656 23 H 2.7684 -3.9754 0.1361 H 1 UNL11111 0.1504 24 H 3.8515 -2.3497 1.6702 H 1 UNL11111 0.1566 25 H 3.2933 0.0497 1.5423 H 1 UNL11111 0.1652 26 H -1.8479 -1.1052 2.2337 H 1 UNL11111 0.1817 27 H -0.4488 1.1179 2.2035 H 1 UNL11111 0.1928 @BOND 1 1 3 1 2 1 9 1 3 1 18 1 4 1 19 1 5 2 3 2 6 3 4 1 7 3 5 2 8 4 7 2 9 4 26 1 10 6 8 1 11 6 10 2 12 6 11 1 13 6 12 2 14 7 9 1 15 7 27 1 16 8 9 1 17 9 20 1 18 11 13 ar 19 11 17 ar 20 13 14 ar 21 13 21 1 22 14 15 ar 23 14 22 1 24 15 16 ar 25 15 23 1 26 16 17 ar 27 16 24 1 28 17 25 1