@MOLECULE 4,5,6-trihydroxy-1,2,3-tris(trifluoroacetyl)-1,2,3-cyclohexanetriyl tris(trifluoroacetate) 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 F -0.0861 -3.2947 -2.5647 F 1 UNL1111111111 -0.1697 2 F 1.3887 -3.7785 -1.1182 F 1 UNL1111111111 -0.1381 3 F -0.5350 -3.1428 -0.4999 F 1 UNL1111111111 -0.2125 4 F 1.7451 0.5700 2.1813 F 1 UNL1111111111 -0.2012 5 F -0.2489 1.0811 2.6552 F 1 UNL1111111111 -0.1641 6 F 1.2754 2.5729 2.7033 F 1 UNL1111111111 -0.1482 7 F -2.6124 -1.0787 1.0921 F 1 UNL1111111111 -0.1597 8 F -3.2347 -2.8619 0.1200 F 1 UNL1111111111 -0.1481 9 F -4.2742 -1.0340 -0.2171 F 1 UNL1111111111 -0.1730 10 F 0.9988 -1.4515 3.6874 F 1 UNL1111111111 -0.1457 11 F -0.0534 -3.1871 3.0404 F 1 UNL1111111111 -0.1479 12 F -1.0189 -1.2955 3.0396 F 1 UNL1111111111 -0.1403 13 F 5.4240 0.4177 0.8292 F 1 UNL1111111111 -0.1543 14 F 5.3194 1.2032 -1.1461 F 1 UNL1111111111 -0.1517 15 F 4.4658 -0.6951 -0.7109 F 1 UNL1111111111 -0.1437 16 F -4.3797 2.0390 1.2837 F 1 UNL1111111111 -0.1398 17 F -3.6955 3.6222 0.0329 F 1 UNL1111111111 -0.1546 18 F -2.3539 2.6927 1.3974 F 1 UNL1111111111 -0.1339 19 O -0.1358 -0.8018 0.7207 O.3 1 UNL1111111111 -0.3929 20 O 2.3071 0.3857 -0.2367 O.3 1 UNL1111111111 -0.3929 21 O -1.7878 0.9023 -0.2658 O.3 1 UNL1111111111 -0.3742 22 O 1.9177 2.7554 -1.7292 O.3 1 UNL1111111111 -0.5094 23 O -0.2858 -0.3075 -3.3069 O.3 1 UNL1111111111 -0.5215 24 O -0.0393 2.4519 -3.7526 O.3 1 UNL1111111111 -0.4859 25 O 1.8653 -1.2102 -2.1152 O.2 1 UNL1111111111 -0.2194 26 O -0.0883 2.8659 0.3165 O.2 1 UNL1111111111 -0.3338 27 O -2.1889 -1.9808 -2.2205 O.2 1 UNL1111111111 -0.2823 28 O 1.5969 -2.2519 0.8540 O.2 1 UNL1111111111 -0.3425 29 O 3.1441 2.2819 0.6659 O.2 1 UNL1111111111 -0.3584 30 O -3.6718 1.1577 -1.4932 O.2 1 UNL1111111111 -0.3777 31 C 0.1555 -0.3870 -0.6003 C.3 1 UNL1111111111 0.1607 32 C 1.0241 0.9052 -0.5265 C.3 1 UNL1111111111 0.0867 33 C -1.2492 -0.0377 -1.1859 C.3 1 UNL1111111111 0.0844 34 C 1.1294 1.6258 -1.9115 C.3 1 UNL1111111111 0.1086 35 C -1.0759 0.6024 -2.5925 C.3 1 UNL1111111111 0.0533 36 C -0.2725 1.9216 -2.4743 C.3 1 UNL1111111111 0.0528 37 C 0.9157 -1.4488 -1.4387 C.2 1 UNL1111111111 0.3452 38 C 0.5293 1.8694 0.5502 C.2 1 UNL1111111111 0.3841 39 C -2.1540 -1.2577 -1.2716 C.2 1 UNL1111111111 0.3324 40 C 0.4217 -2.9194 -1.3979 C.3 1 UNL1111111111 0.4412 41 C 0.8322 1.5254 2.0276 C.3 1 UNL1111111111 0.4499 42 C -3.0645 -1.5605 -0.0572 C.3 1 UNL1111111111 0.4360 43 C 0.6687 -1.7020 1.3524 C.2 1 UNL1111111111 0.5168 44 C 3.3069 1.2394 0.1174 C.2 1 UNL1111111111 0.5383 45 C -3.0041 1.4420 -0.5485 C.2 1 UNL1111111111 0.5085 46 C 0.1326 -1.8981 2.7880 C.3 1 UNL1111111111 0.4631 47 C 4.6353 0.5284 -0.2314 C.3 1 UNL1111111111 0.4610 48 C -3.3505 2.4542 0.5608 C.3 1 UNL1111111111 0.4617 49 H 1.7304 1.0130 -2.6405 H 1 UNL1111111111 0.2184 50 H -2.0497 0.7696 -3.1001 H 1 UNL1111111111 0.1644 51 H -0.8201 2.6746 -1.8615 H 1 UNL1111111111 0.1476 52 H 1.3981 3.5374 -1.4295 H 1 UNL1111111111 0.3362 53 H -0.8441 -0.9395 -3.8251 H 1 UNL1111111111 0.3515 54 H -0.8666 2.8154 -4.1369 H 1 UNL1111111111 0.3146 @BOND 1 1 40 1 2 2 40 1 3 3 40 1 4 4 41 1 5 5 41 1 6 6 41 1 7 7 42 1 8 8 42 1 9 9 42 1 10 10 46 1 11 11 46 1 12 12 46 1 13 13 47 1 14 14 47 1 15 15 47 1 16 16 48 1 17 17 48 1 18 18 48 1 19 19 31 1 20 19 43 1 21 20 32 1 22 20 44 1 23 21 33 1 24 21 45 1 25 22 34 1 26 22 52 1 27 23 35 1 28 23 53 1 29 24 36 1 30 24 54 1 31 25 37 2 32 26 38 2 33 27 39 2 34 28 43 2 35 29 44 2 36 30 45 2 37 31 32 1 38 31 33 1 39 31 37 1 40 32 34 1 41 32 38 1 42 33 35 1 43 33 39 1 44 34 36 1 45 34 49 1 46 35 36 1 47 35 50 1 48 36 51 1 49 37 40 1 50 38 41 1 51 39 42 1 52 43 46 1 53 44 47 1 54 45 48 1