@MOLECULE 1,1,1,3,3,3-hexafluoro-2-{4-[4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.6649 0.4342 -0.4832 N.3 1 UNL1111111111 -0.7227 2 C 5.5280 1.1157 -0.6686 C.3 1 UNL1111111111 0.5108 3 C -2.7965 -0.1767 -1.5008 C.3 1 UNL1111111111 -0.0833 4 C -2.9047 1.4325 0.2843 C.3 1 UNL1111111111 -0.0825 5 C 3.4089 0.1203 0.2483 C.ar 1 UNL1111111111 -0.2445 6 C 0.5883 0.1530 0.0399 C.ar 1 UNL1111111111 0.2911 7 C -1.5018 -0.7900 -0.9030 C.3 1 UNL1111111111 -0.1262 8 C -8.3012 -0.4203 -1.1893 C.ar 1 UNL1111111111 -0.2015 9 C 2.6494 1.0568 0.9613 C.ar 1 UNL1111111111 -0.0121 10 C 1.2702 1.0732 0.8751 C.ar 1 UNL1111111111 -0.3179 11 C -7.0056 -0.9716 -0.9521 C.ar 1 UNL1111111111 -0.0593 12 C -8.5402 0.7130 -0.4550 C.ar 1 UNL1111111111 -0.2776 13 S -7.1842 1.1017 0.5262 S.2 1 UNL1111111111 0.3954 14 C -6.2708 -0.2518 -0.0407 C.ar 1 UNL1111111111 -0.5698 15 S -4.6633 -0.6736 0.4510 S.O2 1 UNL1111111111 2.3532 16 O -4.3683 -2.0023 -0.0369 O.2 1 UNL1111111111 -0.9124 17 O -4.4676 -0.3200 1.8385 O.2 1 UNL1111111111 -0.9110 18 C -1.6193 0.8440 0.9218 C.3 1 UNL1111111111 -0.1262 19 N -0.7822 0.2391 -0.1304 N.pl3 1 UNL1111111111 -0.4262 20 C 1.3670 -0.7779 -0.6884 C.ar 1 UNL1111111111 -0.3201 21 C 2.7487 -0.7811 -0.5897 C.ar 1 UNL1111111111 -0.0003 22 C 4.8908 0.1611 0.3909 C.3 1 UNL1111111111 0.1906 23 C 5.5911 -1.2362 0.3423 C.3 1 UNL1111111111 0.4798 24 F 5.8117 -1.7074 -0.8803 F 1 UNL1111111111 -0.1893 25 F 6.7812 -1.2208 0.9307 F 1 UNL1111111111 -0.1710 26 F 4.9060 -2.1826 0.9764 F 1 UNL1111111111 -0.1921 27 F 5.0946 2.3638 -0.5506 F 1 UNL1111111111 -0.1760 28 F 6.8503 1.1834 -0.5804 F 1 UNL1111111111 -0.1764 29 F 5.2673 0.7566 -1.9210 F 1 UNL1111111111 -0.1876 30 O 5.3163 0.7397 1.5934 O.3 1 UNL1111111111 -0.4911 31 H -3.3480 -0.9620 -2.0668 H 1 UNL1111111111 0.1593 32 H -2.5280 0.6184 -2.2371 H 1 UNL1111111111 0.1538 33 H -2.6332 2.2602 -0.4137 H 1 UNL1111111111 0.1535 34 H -3.5385 1.8819 1.0819 H 1 UNL1111111111 0.1579 35 H -1.7447 -1.6749 -0.2684 H 1 UNL1111111111 0.1625 36 H -0.8714 -1.1556 -1.7433 H 1 UNL1111111111 0.1515 37 H -9.0010 -0.8688 -1.8778 H 1 UNL1111111111 0.1655 38 H 3.1494 1.8009 1.5902 H 1 UNL1111111111 0.1610 39 H 0.7160 1.8187 1.4382 H 1 UNL1111111111 0.1600 40 H -6.6674 -1.8758 -1.4520 H 1 UNL1111111111 0.1789 41 H -9.4414 1.3019 -0.4619 H 1 UNL1111111111 0.1747 42 H -1.0734 1.6603 1.4414 H 1 UNL1111111111 0.1487 43 H -1.8816 0.0909 1.7033 H 1 UNL1111111111 0.1634 44 H 0.8910 -1.5079 -1.3371 H 1 UNL1111111111 0.1632 45 H 3.3042 -1.5055 -1.1893 H 1 UNL1111111111 0.1612 46 H 4.7765 0.4111 2.3571 H 1 UNL1111111111 0.3411 @BOND 1 1 4 1 2 2 27 1 3 2 29 1 4 3 1 1 5 3 7 1 6 3 31 1 7 3 32 1 8 4 18 1 9 4 33 1 10 4 34 1 11 5 9 ar 12 5 22 1 13 6 10 ar 14 7 19 1 15 7 35 1 16 7 36 1 17 8 37 1 18 9 38 1 19 10 9 ar 20 10 39 1 21 11 8 ar 22 11 40 1 23 12 8 ar 24 12 41 1 25 13 14 ar 26 13 12 ar 27 14 11 ar 28 15 17 2 29 15 1 1 30 15 14 1 31 16 15 2 32 18 42 1 33 18 43 1 34 19 18 1 35 19 6 1 36 20 6 ar 37 20 21 ar 38 20 44 1 39 21 5 ar 40 21 45 1 41 22 23 1 42 22 2 1 43 23 24 1 44 23 25 1 45 26 23 1 46 28 2 1 47 30 22 1 48 30 46 1