@MOLECULE 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamide 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.0582 0.3529 0.2089 C.2 1 UNL111111111 0.5842 2 O -1.6996 0.1326 -0.9314 O.2 1 UNL111111111 -0.5401 3 C -3.3653 -0.1094 0.7548 C.ar 1 UNL111111111 -0.0469 4 C -4.4368 0.7816 0.7352 C.ar 1 UNL111111111 -0.2902 5 C -5.6627 0.3251 1.2166 C.ar 1 UNL111111111 0.2932 6 C -5.8391 -0.9760 1.7056 C.ar 1 UNL111111111 -0.2294 7 C -4.7502 -1.8374 1.7029 C.ar 1 UNL111111111 -0.0669 8 C -3.5052 -1.4076 1.2315 C.ar 1 UNL111111111 -0.1844 9 O -6.7685 1.1128 1.2516 O.3 1 UNL111111111 -0.4731 10 N 3.0992 0.4196 0.4952 N.3 1 UNL111111111 -0.7775 11 C 4.2626 -0.0737 1.2414 C.3 1 UNL111111111 -0.0664 12 C 5.6405 0.5496 0.8934 C.3 1 UNL111111111 -0.1313 13 C 5.6944 2.0440 1.2113 C.3 1 UNL111111111 -0.4543 14 C 6.7152 -0.2153 1.6938 C.3 1 UNL111111111 -0.2715 15 C 2.5056 1.6583 1.0112 C.3 1 UNL111111111 -0.1298 16 C 1.1083 1.3161 1.5929 C.3 1 UNL111111111 0.1042 17 C 8.1192 0.0349 1.1430 C.3 1 UNL111111111 -0.4374 18 O 0.9338 1.9433 2.8409 O.3 1 UNL111111111 -0.5629 19 C -0.0383 1.7044 0.6251 C.3 1 UNL111111111 0.0421 20 N -1.2599 1.0468 1.0935 N.am 1 UNL111111111 -0.5957 21 C -0.2422 3.2383 0.5583 C.3 1 UNL111111111 -0.3294 22 C -2.5807 3.9676 0.0176 C.ar 1 UNL111111111 -0.1862 23 C -3.5993 4.2124 -0.9008 C.ar 1 UNL111111111 -0.1524 24 C -3.3648 4.0476 -2.2640 C.ar 1 UNL111111111 -0.1533 25 C -2.1057 3.6468 -2.7105 C.ar 1 UNL111111111 -0.1348 26 C -1.0838 3.4048 -1.7968 C.ar 1 UNL111111111 -0.1541 27 C -1.3239 3.5567 -0.4288 C.ar 1 UNL111111111 0.0178 28 C -1.6239 -5.9244 0.1200 C.ar 1 UNL111111111 -0.0289 29 N -2.6047 -5.0878 -0.1936 N.ar 1 UNL111111111 -0.2185 30 O -2.0613 -3.9180 -0.6505 O.2 1 UNL111111111 0.0481 31 S 1.6468 -2.5401 -0.4675 S.2 1 UNL111111111 0.3779 32 C 0.0412 -2.8870 -1.0328 C.ar 1 UNL111111111 -0.2187 33 C -0.6757 -4.0407 -0.6149 C.ar 1 UNL111111111 0.0835 34 C -0.3516 -5.2891 -0.1377 C.ar 1 UNL111111111 -0.3099 35 C 1.6921 -1.0258 -1.3031 C.ar 1 UNL111111111 -0.5498 36 C 0.5306 -0.8200 -2.0040 C.ar 1 UNL111111111 -0.0334 37 C -0.4133 -1.8841 -1.8560 C.ar 1 UNL111111111 -0.1019 38 S 2.9969 0.1218 -1.2242 S.O2 1 UNL111111111 2.3896 39 O 4.2290 -0.5064 -1.6333 O.2 1 UNL111111111 -0.9030 40 O 2.5385 1.3530 -1.8322 O.2 1 UNL111111111 -0.9238 41 H -4.3174 1.7871 0.3399 H 1 UNL111111111 0.1726 42 H -6.8150 -1.2891 2.0675 H 1 UNL111111111 0.1726 43 H -4.8626 -2.8597 2.0661 H 1 UNL111111111 0.1583 44 H -2.6602 -2.0929 1.2229 H 1 UNL111111111 0.1623 45 H -6.6004 2.0109 0.8775 H 1 UNL111111111 0.3295 46 H 4.0602 0.0587 2.3296 H 1 UNL111111111 0.1396 47 H 4.3236 -1.1777 1.0757 H 1 UNL111111111 0.1426 48 H 5.8422 0.4009 -0.1987 H 1 UNL111111111 0.1734 49 H 6.7078 2.4380 1.0661 H 1 UNL111111111 0.1467 50 H 5.0379 2.6190 0.5486 H 1 UNL111111111 0.1466 51 H 5.4115 2.2530 2.2474 H 1 UNL111111111 0.1371 52 H 6.6703 0.0705 2.7603 H 1 UNL111111111 0.1315 53 H 6.5045 -1.3023 1.6597 H 1 UNL111111111 0.1345 54 H 3.1253 2.0941 1.8290 H 1 UNL111111111 0.1519 55 H 2.4392 2.4540 0.2334 H 1 UNL111111111 0.1605 56 H 1.0430 0.2337 1.8677 H 1 UNL111111111 0.1755 57 H 8.1658 -0.1691 0.0658 H 1 UNL111111111 0.1505 58 H 8.4359 1.0722 1.2950 H 1 UNL111111111 0.1427 59 H 8.8577 -0.6102 1.6319 H 1 UNL111111111 0.1406 60 H 1.0344 2.9126 2.7827 H 1 UNL111111111 0.3121 61 H 0.2047 1.3292 -0.4124 H 1 UNL111111111 0.1911 62 H -1.5569 1.2534 2.0339 H 1 UNL111111111 0.3213 63 H -0.4908 3.6394 1.5595 H 1 UNL111111111 0.1478 64 H 0.7059 3.7286 0.2552 H 1 UNL111111111 0.1609 65 H -2.7679 4.0956 1.0805 H 1 UNL111111111 0.1478 66 H -4.5769 4.5376 -0.5526 H 1 UNL111111111 0.1438 67 H -4.1619 4.2308 -2.9805 H 1 UNL111111111 0.1489 68 H -1.9222 3.5141 -3.7748 H 1 UNL111111111 0.1506 69 H -0.1017 3.0812 -2.1471 H 1 UNL111111111 0.1704 70 H -1.7839 -6.9184 0.5047 H 1 UNL111111111 0.1874 71 H 0.6080 -5.7314 0.0133 H 1 UNL111111111 0.1839 72 H 0.2936 0.0625 -2.5980 H 1 UNL111111111 0.1923 73 H -1.3924 -1.8553 -2.3217 H 1 UNL111111111 0.1881 @BOND 1 1 3 1 2 1 2 2 3 3 8 ar 4 3 4 ar 5 4 41 1 6 5 4 ar 7 5 9 1 8 6 5 ar 9 6 42 1 10 7 6 ar 11 7 43 1 12 8 7 ar 13 8 44 1 14 9 45 1 15 10 11 1 16 10 15 1 17 11 12 1 18 11 46 1 19 11 47 1 20 12 13 1 21 12 14 1 22 12 48 1 23 13 49 1 24 13 50 1 25 13 51 1 26 14 17 1 27 14 52 1 28 14 53 1 29 15 16 1 30 15 54 1 31 15 55 1 32 16 18 1 33 16 19 1 34 16 56 1 35 17 57 1 36 17 58 1 37 17 59 1 38 18 60 1 39 19 20 1 40 19 21 1 41 19 61 1 42 20 1 am 43 20 62 1 44 21 27 1 45 21 63 1 46 21 64 1 47 22 23 ar 48 22 27 ar 49 22 65 1 50 23 24 ar 51 23 66 1 52 24 25 ar 53 24 67 1 54 25 26 ar 55 25 68 1 56 26 27 ar 57 26 69 1 58 28 29 ar 59 28 34 ar 60 28 70 1 61 29 30 ar 62 30 33 ar 63 31 32 ar 64 31 35 ar 65 32 33 1 66 32 37 ar 67 33 34 ar 68 34 71 1 69 35 36 ar 70 35 38 1 71 36 37 ar 72 36 72 1 73 37 73 1 74 38 39 2 75 38 40 2 76 38 10 1