@MOLECULE n~2~-acetyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}-2-butanyl]-l-alaninamide 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.7806 0.3098 2.3832 O.2 1 UNL1111111111 -0.5635 2 C 5.6806 0.7518 1.6934 C.2 1 UNL1111111111 0.6219 3 C 6.9700 0.0295 1.4445 C.3 1 UNL1111111111 -0.5313 4 N 5.5579 1.9992 1.1060 N.am 1 UNL1111111111 -0.6147 5 C 4.3203 2.7667 1.2744 C.3 1 UNL1111111111 0.0379 6 C 4.5764 4.2526 1.0391 C.3 1 UNL1111111111 -0.4583 7 C 3.2922 2.2597 0.2359 C.2 1 UNL1111111111 0.5434 8 O 3.0663 2.8471 -0.8040 O.2 1 UNL1111111111 -0.5594 9 N 2.6398 1.1030 0.5818 N.am 1 UNL1111111111 -0.5810 10 C 1.7712 0.4350 -0.3867 C.3 1 UNL1111111111 0.0305 11 C 2.4140 -0.8892 -0.8598 C.3 1 UNL1111111111 -0.3362 12 C 3.7810 -0.7060 -1.4476 C.ar 1 UNL1111111111 0.0247 13 C 4.7794 -1.6354 -1.1418 C.ar 1 UNL1111111111 -0.1775 14 C 6.0566 -1.4955 -1.6791 C.ar 1 UNL1111111111 -0.1584 15 C 6.3490 -0.4226 -2.5188 C.ar 1 UNL1111111111 -0.1704 16 C 5.3547 0.5031 -2.8286 C.ar 1 UNL1111111111 -0.1436 17 C 4.0739 0.3596 -2.3011 C.ar 1 UNL1111111111 -0.1627 18 C 0.3928 0.1918 0.2993 C.3 1 UNL1111111111 0.0817 19 O 0.4695 -0.8348 1.2397 O.3 1 UNL1111111111 -0.5357 20 C -0.6773 -0.0625 -0.7942 C.3 1 UNL1111111111 -0.1215 21 N -1.9942 -0.5257 -0.3465 N.3 1 UNL1111111111 -0.7561 22 S -2.7573 0.2270 1.0276 S.O2 1 UNL1111111111 2.3887 23 O -3.1323 -0.8054 1.9643 O.2 1 UNL1111111111 -0.9152 24 O -2.0097 1.3986 1.3941 O.2 1 UNL1111111111 -0.8671 25 C -4.2768 0.7718 0.2819 C.ar 1 UNL1111111111 -0.4406 26 C -5.4552 0.0794 0.5607 C.ar 1 UNL1111111111 -0.0705 27 C -6.6420 0.5074 -0.0261 C.ar 1 UNL1111111111 0.0517 28 F -7.7710 -0.1341 0.2172 F 1 UNL1111111111 -0.1274 29 C -4.3244 1.8781 -0.5633 C.ar 1 UNL1111111111 0.2755 30 F -3.2153 2.5441 -0.8255 F 1 UNL1111111111 -0.1302 31 C -5.5050 2.3291 -1.1628 C.ar 1 UNL1111111111 -0.2892 32 C -6.6659 1.6203 -0.8800 C.ar 1 UNL1111111111 0.1967 33 F -7.8110 1.9917 -1.4170 F 1 UNL1111111111 -0.1313 34 C -2.2907 -1.9439 -0.6098 C.3 1 UNL1111111111 -0.0421 35 C -1.3916 -2.9405 0.0310 C.ar 1 UNL1111111111 -0.1971 36 C -1.2192 -3.1765 1.3622 C.ar 1 UNL1111111111 -0.1401 37 C -0.2836 -4.2339 1.6405 C.ar 1 UNL1111111111 -0.1745 38 C 0.2364 -4.8073 0.5208 C.ar 1 UNL1111111111 -0.2676 39 S -0.4132 -4.0570 -0.9112 S.2 1 UNL1111111111 0.1488 40 H 7.0772 -0.8083 2.1540 H 1 UNL1111111111 0.1911 41 H 6.9870 -0.4038 0.4306 H 1 UNL1111111111 0.1856 42 H 7.8515 0.6720 1.5562 H 1 UNL1111111111 0.1726 43 H 6.2234 2.3430 0.4342 H 1 UNL1111111111 0.3180 44 H 3.9238 2.5987 2.3164 H 1 UNL1111111111 0.1811 45 H 4.8723 4.4557 -0.0008 H 1 UNL1111111111 0.1687 46 H 3.6608 4.8358 1.2133 H 1 UNL1111111111 0.1687 47 H 5.3559 4.6405 1.7037 H 1 UNL1111111111 0.1543 48 H 2.9146 0.5685 1.4064 H 1 UNL1111111111 0.3500 49 H 1.6179 1.1175 -1.2700 H 1 UNL1111111111 0.1721 50 H 2.4662 -1.5959 -0.0020 H 1 UNL1111111111 0.1640 51 H 1.7600 -1.3753 -1.6137 H 1 UNL1111111111 0.1602 52 H 4.5618 -2.4712 -0.4789 H 1 UNL1111111111 0.1558 53 H 6.8247 -2.2308 -1.4484 H 1 UNL1111111111 0.1473 54 H 7.3463 -0.3123 -2.9370 H 1 UNL1111111111 0.1486 55 H 5.5761 1.3433 -3.4846 H 1 UNL1111111111 0.1518 56 H 3.3106 1.1021 -2.5423 H 1 UNL1111111111 0.1729 57 H 0.1307 1.0762 0.9438 H 1 UNL1111111111 0.2040 58 H 0.6415 -1.7070 0.8297 H 1 UNL1111111111 0.3146 59 H -0.8392 0.9025 -1.3418 H 1 UNL1111111111 0.1577 60 H -0.2801 -0.7754 -1.5515 H 1 UNL1111111111 0.1432 61 H -5.4586 -0.7881 1.2411 H 1 UNL1111111111 0.2098 62 H -5.5134 3.1994 -1.8204 H 1 UNL1111111111 0.1992 63 H -3.3461 -2.1608 -0.2906 H 1 UNL1111111111 0.1588 64 H -2.3045 -2.0612 -1.7259 H 1 UNL1111111111 0.1495 65 H -1.7204 -2.6284 2.1600 H 1 UNL1111111111 0.2085 66 H -0.0420 -4.5184 2.6557 H 1 UNL1111111111 0.1720 67 H 0.9460 -5.6137 0.4637 H 1 UNL1111111111 0.1816 @BOND 1 1 2 2 2 2 3 1 3 2 4 am 4 3 40 1 5 3 41 1 6 3 42 1 7 4 5 1 8 4 43 1 9 5 6 1 10 5 7 1 11 5 44 1 12 6 45 1 13 6 46 1 14 6 47 1 15 7 8 2 16 7 9 am 17 9 10 1 18 9 48 1 19 10 11 1 20 10 18 1 21 10 49 1 22 11 12 1 23 11 50 1 24 11 51 1 25 12 13 ar 26 12 17 ar 27 13 14 ar 28 13 52 1 29 14 15 ar 30 14 53 1 31 15 16 ar 32 15 54 1 33 16 17 ar 34 16 55 1 35 17 56 1 36 18 20 1 37 18 19 1 38 18 57 1 39 19 58 1 40 20 21 1 41 20 59 1 42 20 60 1 43 21 22 1 44 21 34 1 45 22 23 2 46 22 24 2 47 22 25 1 48 25 26 ar 49 25 29 ar 50 26 27 ar 51 26 61 1 52 27 28 1 53 27 32 ar 54 29 30 1 55 29 31 ar 56 31 32 ar 57 31 62 1 58 32 33 1 59 34 35 1 60 34 63 1 61 34 64 1 62 35 39 ar 63 35 36 ar 64 36 37 ar 65 36 65 1 66 37 38 ar 67 37 66 1 68 38 39 ar 69 38 67 1