@MOLECULE (2r)-3-[(4-acetamidophenyl)sulfanyl]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.2666 1.2510 -0.4345 S.3 1 UNL111111111 0.0687 2 F 2.8179 -1.9878 -2.3900 F 1 UNL111111111 -0.1981 3 F 4.0098 -0.6210 -1.3229 F 1 UNL111111111 -0.1969 4 F 4.0602 -2.6819 -0.8402 F 1 UNL111111111 -0.1832 5 O -5.0816 -1.4090 0.8985 O.3 1 UNL111111111 -0.5178 6 O -2.6432 -1.1012 1.9580 O.2 1 UNL111111111 -0.4741 7 O 1.9124 3.3376 1.5087 O.2 1 UNL111111111 -0.4922 8 N -1.5275 -1.4610 -0.0085 N.am 1 UNL111111111 -0.5600 9 N 1.4675 2.8654 -0.6830 N.am 1 UNL111111111 -0.5822 10 N 4.9410 -0.9346 1.9476 N.1 1 UNL111111111 -0.2115 11 C -4.0071 -1.5280 0.0053 C.3 1 UNL111111111 0.2514 12 C -4.2464 -0.4699 -1.0727 C.3 1 UNL111111111 -0.3755 13 C -2.6784 -1.3139 0.7718 C.2 1 UNL111111111 0.5239 14 C -4.0238 -2.9441 -0.5826 C.3 1 UNL111111111 -0.5049 15 C -0.2035 -1.3551 0.4464 C.ar 1 UNL111111111 0.2577 16 C -2.5607 1.7203 -0.5109 C.ar 1 UNL111111111 -0.1871 17 C 0.8080 -1.5578 -0.5186 C.ar 1 UNL111111111 -0.2248 18 C 2.1380 -1.4710 -0.1437 C.ar 1 UNL111111111 -0.0431 19 C 0.1442 -1.0705 1.7748 C.ar 1 UNL111111111 -0.1973 20 C 2.4916 -1.1714 1.1785 C.ar 1 UNL111111111 -0.0533 21 C 1.4828 -0.9791 2.1309 C.ar 1 UNL111111111 -0.0511 22 C -1.9232 2.1076 0.6679 C.ar 1 UNL111111111 -0.0600 23 C -1.8746 1.7509 -1.7236 C.ar 1 UNL111111111 -0.0845 24 C 0.1139 2.5031 -0.5653 C.ar 1 UNL111111111 0.2553 25 C -0.5902 2.5029 0.6479 C.ar 1 UNL111111111 -0.2389 26 C -0.5396 2.1265 -1.7569 C.ar 1 UNL111111111 -0.2852 27 C 3.2302 -1.6903 -1.1586 C.3 1 UNL111111111 0.5363 28 C 3.8464 -1.0429 1.5871 C.1 1 UNL111111111 0.1074 29 C 2.3010 3.2730 0.3686 C.2 1 UNL111111111 0.6187 30 C 3.7020 3.6080 -0.0552 C.3 1 UNL111111111 -0.5315 31 H -3.5314 -0.5732 -1.9035 H 1 UNL111111111 0.1550 32 H -5.2594 -0.6318 -1.5073 H 1 UNL111111111 0.1928 33 H -3.7579 -3.6983 0.1693 H 1 UNL111111111 0.1675 34 H -5.0393 -3.1972 -0.9246 H 1 UNL111111111 0.1795 35 H -3.3531 -3.0645 -1.4365 H 1 UNL111111111 0.1521 36 H -1.6446 -1.6097 -1.0085 H 1 UNL111111111 0.3155 37 H -4.8371 -1.7061 1.8055 H 1 UNL111111111 0.3394 38 H 0.5242 -1.7796 -1.5472 H 1 UNL111111111 0.1771 39 H -0.6283 -0.9087 2.5348 H 1 UNL111111111 0.2116 40 H 1.7522 -0.7455 3.1659 H 1 UNL111111111 0.1774 41 H -2.4592 2.0992 1.6237 H 1 UNL111111111 0.1750 42 H -2.3736 1.4900 -2.6581 H 1 UNL111111111 0.1538 43 H -0.1047 2.8045 1.5803 H 1 UNL111111111 0.2063 44 H -0.0067 2.1420 -2.7036 H 1 UNL111111111 0.1593 45 H 1.8613 2.8248 -1.6202 H 1 UNL111111111 0.3155 46 H 3.7348 4.4012 -0.8129 H 1 UNL111111111 0.1763 47 H 4.2824 3.9656 0.8142 H 1 UNL111111111 0.1953 48 H 4.2338 2.7297 -0.4503 H 1 UNL111111111 0.1845 @BOND 1 1 12 1 2 1 16 1 3 2 27 1 4 3 27 1 5 4 27 1 6 5 11 1 7 5 37 1 8 6 13 2 9 7 29 2 10 8 13 am 11 8 15 1 12 8 36 1 13 9 24 1 14 9 29 am 15 9 45 1 16 10 28 3 17 11 12 1 18 11 13 1 19 11 14 1 20 12 31 1 21 12 32 1 22 14 33 1 23 14 34 1 24 14 35 1 25 15 17 ar 26 15 19 ar 27 16 22 ar 28 16 23 ar 29 17 18 ar 30 17 38 1 31 18 20 ar 32 18 27 1 33 19 21 ar 34 19 39 1 35 20 21 ar 36 20 28 1 37 21 40 1 38 22 25 ar 39 22 41 1 40 23 26 ar 41 23 42 1 42 24 25 ar 43 24 26 ar 44 25 43 1 45 26 44 1 46 29 30 1 47 30 46 1 48 30 47 1 49 30 48 1