@MOLECULE 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}-2-thiophenecarboxylic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.8260 0.9879 -0.7401 C.ar 1 UNL11 -0.2150 2 C -5.0985 1.2984 -0.2749 C.ar 1 UNL11 -0.0572 3 C -5.9641 0.2716 0.1151 C.ar 1 UNL11 -0.1733 4 C -7.2971 0.6434 0.6024 C.2 1 UNL11 0.6466 5 O -8.0371 -0.4483 0.9421 O.3 1 UNL11 -0.5605 6 O -7.7646 1.7483 0.7210 O.2 1 UNL11 -0.5070 7 C -5.5586 -1.0623 0.0408 C.ar 1 UNL11 -0.0480 8 C -4.2827 -1.3691 -0.4223 C.ar 1 UNL11 -0.2159 9 C -3.4139 -0.3466 -0.8127 C.ar 1 UNL11 0.0759 10 C -2.0316 -0.6757 -1.2842 C.3 1 UNL11 -0.3081 11 C -1.0509 -0.5313 -0.1128 C.3 1 UNL11 -0.2737 12 C 0.3734 -0.9105 -0.5609 C.3 1 UNL11 -0.0488 13 N 1.2645 -0.8116 0.6026 N.3 1 UNL11 -0.8733 14 S 2.7829 -1.6210 0.5811 S.O2 1 UNL11 2.3616 15 O 3.2577 -1.7131 1.9359 O.2 1 UNL11 -0.8619 16 O 2.6523 -2.7767 -0.2766 O.2 1 UNL11 -0.9026 17 C 3.8696 -0.4991 -0.2652 C.ar 1 UNL11 -0.3461 18 C 4.5521 -0.9269 -1.4409 C.ar 1 UNL11 -0.1261 19 C 5.3845 0.0332 -1.9569 C.ar 1 UNL11 -0.3034 20 S 5.3521 1.4559 -0.9956 S.2 1 UNL11 0.4028 21 C 4.1892 0.7860 0.0983 C.ar 1 UNL11 -0.2643 22 C 3.6490 1.5634 1.2074 C.2 1 UNL11 0.6663 23 O 4.6105 2.2943 1.8201 O.3 1 UNL11 -0.5303 24 O 2.4979 1.6402 1.5645 O.2 1 UNL11 -0.5138 25 H -3.1492 1.7838 -1.0438 H 1 UNL11 0.1601 26 H -5.4280 2.3394 -0.2098 H 1 UNL11 0.1725 27 H -8.9377 -0.2154 1.2781 H 1 UNL11 0.3564 28 H -6.2403 -1.8602 0.3472 H 1 UNL11 0.1728 29 H -3.9609 -2.4074 -0.4754 H 1 UNL11 0.1616 30 H -1.9839 -1.7045 -1.6964 H 1 UNL11 0.1548 31 H -1.7320 -0.0130 -2.1211 H 1 UNL11 0.1506 32 H -1.0709 0.5022 0.2818 H 1 UNL11 0.1467 33 H -1.3596 -1.1774 0.7342 H 1 UNL11 0.1644 34 H 0.3807 -1.9585 -0.9502 H 1 UNL11 0.1619 35 H 0.6993 -0.2474 -1.3935 H 1 UNL11 0.1078 36 H 1.2341 0.0841 1.0866 H 1 UNL11 0.3277 37 H 4.4156 -1.9173 -1.8724 H 1 UNL11 0.1934 38 H 5.9956 -0.0584 -2.8390 H 1 UNL11 0.1809 39 H 4.2717 2.8041 2.6045 H 1 UNL11 0.3646 @BOND 1 1 9 ar 2 1 25 1 3 2 1 ar 4 2 3 ar 5 2 26 1 6 3 7 ar 7 4 3 1 8 4 5 1 9 5 27 1 10 6 4 2 11 7 8 ar 12 7 28 1 13 8 29 1 14 9 10 1 15 9 8 ar 16 10 11 1 17 10 30 1 18 10 31 1 19 11 12 1 20 11 32 1 21 11 33 1 22 12 13 1 23 12 34 1 24 12 35 1 25 13 14 1 26 13 36 1 27 14 16 2 28 14 17 1 29 15 14 2 30 17 21 ar 31 18 17 ar 32 18 19 ar 33 18 37 1 34 19 20 ar 35 19 38 1 36 21 22 1 37 21 20 ar 38 22 23 1 39 23 39 1 40 24 22 2