@MOLECULE 4-{3-[(phenylsulfonyl)amino]-1-propyn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.1184 -1.3878 -1.6217 O.2 1 UNL1111111111 -0.9160 2 S 6.0371 -1.0771 -0.2125 S.O2 1 UNL1111111111 2.3340 3 O 6.1066 -2.0931 0.8101 O.2 1 UNL1111111111 -0.9021 4 C 7.2012 0.1843 0.1510 C.ar 1 UNL1111111111 -0.3708 5 C 7.7123 0.9732 -0.8783 C.ar 1 UNL1111111111 -0.0666 6 C 8.6270 1.9844 -0.5878 C.ar 1 UNL1111111111 -0.1817 7 C 9.0318 2.2014 0.7285 C.ar 1 UNL1111111111 -0.0987 8 C 8.5275 1.4043 1.7548 C.ar 1 UNL1111111111 -0.1782 9 C 7.6122 0.3928 1.4664 C.ar 1 UNL1111111111 -0.0617 10 N 4.5007 -0.2871 0.0400 N.3 1 UNL1111111111 -0.8513 11 C 3.6866 0.0429 -1.1520 C.3 1 UNL1111111111 -0.0325 12 C 2.2802 -0.0221 -0.8543 C.1 1 UNL1111111111 -0.0818 13 C 1.0949 -0.0730 -0.5999 C.1 1 UNL1111111111 -0.1145 14 C -0.2791 -0.1364 -0.3049 C.ar 1 UNL1111111111 0.0512 15 C -1.1774 0.7166 -0.9618 C.ar 1 UNL1111111111 -0.1454 16 C -2.5370 0.6415 -0.6778 C.ar 1 UNL1111111111 -0.1265 17 C -0.7468 -1.0509 0.6488 C.ar 1 UNL1111111111 -0.1474 18 C -2.1068 -1.1192 0.9336 C.ar 1 UNL1111111111 -0.0900 19 C -2.9964 -0.2833 0.2590 C.ar 1 UNL1111111111 -0.1313 20 C -4.4421 -0.3859 0.5910 C.2 1 UNL1111111111 0.5803 21 O -4.8852 -0.3077 1.7176 O.2 1 UNL1111111111 -0.5063 22 N -5.2869 -0.6105 -0.4829 N.am 1 UNL1111111111 -0.6112 23 C -6.7238 -0.7563 -0.2507 C.3 1 UNL1111111111 -0.0329 24 C -7.3588 0.6259 0.0106 C.3 1 UNL1111111111 -0.3828 25 C -8.8760 0.5618 -0.0304 C.3 1 UNL1111111111 0.5509 26 F -9.4191 -0.3570 0.7676 F 1 UNL1111111111 -0.2044 27 F -9.4741 1.7006 0.3216 F 1 UNL1111111111 -0.2061 28 F -9.3813 0.2878 -1.2351 F 1 UNL1111111111 -0.2162 29 H 7.4141 0.8053 -1.9193 H 1 UNL1111111111 0.1712 30 H 9.0265 2.6023 -1.3890 H 1 UNL1111111111 0.1523 31 H 9.7449 2.9933 0.9545 H 1 UNL1111111111 0.1466 32 H 8.8483 1.5701 2.7813 H 1 UNL1111111111 0.1543 33 H 7.2332 -0.2331 2.2824 H 1 UNL1111111111 0.1717 34 H 3.9435 -0.6647 0.8057 H 1 UNL1111111111 0.3090 35 H 3.9695 1.0858 -1.4694 H 1 UNL1111111111 0.1645 36 H 3.9242 -0.6214 -2.0330 H 1 UNL1111111111 0.1822 37 H -0.8066 1.4353 -1.6909 H 1 UNL1111111111 0.1631 38 H -3.2338 1.3128 -1.1785 H 1 UNL1111111111 0.1571 39 H -0.0433 -1.7034 1.1647 H 1 UNL1111111111 0.1657 40 H -2.4789 -1.8192 1.6855 H 1 UNL1111111111 0.1723 41 H -4.9518 -0.6601 -1.4276 H 1 UNL1111111111 0.3156 42 H -7.1841 -1.2572 -1.1307 H 1 UNL1111111111 0.1478 43 H -6.8893 -1.4208 0.6358 H 1 UNL1111111111 0.1721 44 H -7.0071 0.9978 1.0055 H 1 UNL1111111111 0.2098 45 H -6.9823 1.3707 -0.7227 H 1 UNL1111111111 0.1850 @BOND 1 1 2 2 2 2 4 1 3 2 10 1 4 3 2 2 5 4 9 ar 6 5 6 ar 7 5 4 ar 8 5 29 1 9 6 7 ar 10 6 30 1 11 7 8 ar 12 7 31 1 13 8 32 1 14 9 8 ar 15 9 33 1 16 10 11 1 17 10 34 1 18 11 35 1 19 11 36 1 20 12 11 1 21 13 12 3 22 14 13 1 23 14 15 ar 24 15 37 1 25 16 15 ar 26 16 38 1 27 17 14 ar 28 17 39 1 29 18 17 ar 30 18 19 ar 31 18 40 1 32 19 16 ar 33 20 19 1 34 20 22 am 35 21 20 2 36 22 41 1 37 23 22 1 38 23 42 1 39 23 43 1 40 24 23 1 41 24 44 1 42 24 45 1 43 25 26 1 44 25 24 1 45 27 25 1 46 28 25 1