@MOLECULE prosulfuron 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3994 -0.6907 1.9469 S.O2 1 UNL1111111111 2.3945 2 F 4.7578 1.9000 -2.1797 F 1 UNL1111111111 -0.2221 3 F 6.0928 1.6939 -0.5727 F 1 UNL1111111111 -0.2139 4 F 4.2863 2.7442 -0.3133 F 1 UNL1111111111 -0.2046 5 O 0.9883 -1.5603 3.0114 O.2 1 UNL1111111111 -0.8632 6 O 2.5290 0.1920 2.1177 O.2 1 UNL1111111111 -0.9026 7 O -1.2834 -1.0223 0.6100 O.2 1 UNL1111111111 -0.4493 8 O -5.3327 -1.2226 -1.4926 O.3 1 UNL1111111111 -0.2175 9 N 0.0912 0.4686 1.6531 N.am 1 UNL1111111111 -0.9099 10 N -2.0610 1.1354 0.9755 N.am 1 UNL1111111111 -0.5559 11 N -4.1074 2.1033 0.4383 N.ar 1 UNL1111111111 -0.6222 12 N -3.6431 -0.1486 -0.2820 N.ar 1 UNL1111111111 -0.5922 13 N -5.7568 0.9032 -0.8145 N.ar 1 UNL1111111111 -0.5576 14 C 2.0880 -1.0617 -0.7122 C.ar 1 UNL1111111111 0.1099 15 C 2.6328 0.3346 -0.8299 C.3 1 UNL1111111111 -0.2860 16 C 1.5196 -1.5832 0.4537 C.ar 1 UNL1111111111 -0.4251 17 C 4.1191 0.3440 -0.4564 C.3 1 UNL1111111111 -0.3354 18 C 2.1582 -1.8657 -1.8564 C.ar 1 UNL1111111111 -0.2155 19 C 0.9965 -2.8812 0.4527 C.ar 1 UNL1111111111 -0.0212 20 C 4.7931 1.6455 -0.8700 C.3 1 UNL1111111111 0.5535 21 C 1.6503 -3.1605 -1.8478 C.ar 1 UNL1111111111 -0.0742 22 C 1.0632 -3.6706 -0.6911 C.ar 1 UNL1111111111 -0.1959 23 C -1.1084 0.0846 1.0517 C.2 1 UNL1111111111 0.7381 24 C -3.2949 0.9988 0.3573 C.ar 1 UNL1111111111 0.5804 25 C -5.3237 2.0117 -0.1600 C.ar 1 UNL1111111111 0.4791 26 C -4.8844 -0.1445 -0.8460 C.ar 1 UNL1111111111 0.5497 27 C -6.2292 3.1907 -0.0946 C.3 1 UNL1111111111 -0.4371 28 C -4.4310 -2.3430 -1.5300 C.3 1 UNL1111111111 -0.1955 29 H 2.4782 0.7080 -1.8667 H 1 UNL1111111111 0.1656 30 H 2.0760 1.0632 -0.2011 H 1 UNL1111111111 0.1792 31 H 4.2282 0.2057 0.6532 H 1 UNL1111111111 0.2223 32 H 4.6444 -0.5207 -0.9151 H 1 UNL1111111111 0.1751 33 H 2.6068 -1.4714 -2.7674 H 1 UNL1111111111 0.1601 34 H 0.5125 -3.2951 1.3491 H 1 UNL1111111111 0.1816 35 H 1.7051 -3.7734 -2.7473 H 1 UNL1111111111 0.1467 36 H 0.6491 -4.6766 -0.6844 H 1 UNL1111111111 0.1575 37 H 0.1994 1.4009 2.0430 H 1 UNL1111111111 0.3323 38 H -1.8797 2.0456 1.4056 H 1 UNL1111111111 0.3414 39 H -6.3742 3.5247 0.9470 H 1 UNL1111111111 0.1855 40 H -5.8032 4.0454 -0.6478 H 1 UNL1111111111 0.1848 41 H -7.2212 2.9688 -0.5263 H 1 UNL1111111111 0.1900 42 H -4.1919 -2.6865 -0.5163 H 1 UNL1111111111 0.1594 43 H -3.5084 -2.0808 -2.0597 H 1 UNL1111111111 0.1545 44 H -5.0283 -3.0780 -2.0828 H 1 UNL1111111111 0.1553 @BOND 1 1 5 2 2 1 6 2 3 1 9 1 4 1 16 1 5 2 20 1 6 3 20 1 7 4 20 1 8 7 23 2 9 8 26 1 10 8 28 1 11 9 23 am 12 9 37 1 13 10 23 am 14 10 24 1 15 10 38 1 16 11 24 ar 17 11 25 ar 18 12 24 ar 19 12 26 ar 20 13 25 ar 21 13 26 ar 22 14 15 1 23 14 16 ar 24 14 18 ar 25 15 17 1 26 15 29 1 27 15 30 1 28 16 19 ar 29 17 20 1 30 17 31 1 31 17 32 1 32 18 21 ar 33 18 33 1 34 19 22 ar 35 19 34 1 36 21 22 ar 37 21 35 1 38 22 36 1 39 25 27 1 40 27 39 1 41 27 40 1 42 27 41 1 43 28 42 1 44 28 43 1 45 28 44 1