@MOLECULE 2-(2-oxo-1-imidazolidinyl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamate 80 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2729 0.3915 0.9613 O.2 1 UNL1111111111 -0.9269 2 S -3.8535 0.1763 1.1447 S.O2 1 UNL1111111111 2.3669 3 O -3.1842 0.5756 2.3646 O.2 1 UNL1111111111 -0.9195 4 C -3.5008 -1.5001 0.8044 C.ar 1 UNL1111111111 -0.4530 5 C -2.2635 -2.0459 1.1679 C.ar 1 UNL1111111111 0.0052 6 C -1.9591 -3.3583 0.8467 C.ar 1 UNL1111111111 -0.2746 7 C -4.4482 -2.2831 0.1476 C.ar 1 UNL1111111111 0.0079 8 C -4.1670 -3.6073 -0.1801 C.ar 1 UNL1111111111 -0.3398 9 C -2.9181 -4.1293 0.1633 C.ar 1 UNL1111111111 0.2989 10 O -2.4935 -5.3880 -0.0937 O.3 1 UNL1111111111 -0.3175 11 C -3.3645 -6.2468 -0.8184 C.3 1 UNL1111111111 -0.2044 12 N -3.0226 1.0010 -0.1542 N.3 1 UNL1111111111 -0.7692 13 C -3.8078 1.6318 -1.2185 C.3 1 UNL1111111111 -0.0664 14 C -4.7175 2.8221 -0.8100 C.3 1 UNL1111111111 -0.1351 15 C -3.9315 3.9917 -0.2161 C.3 1 UNL1111111111 -0.4529 16 C -5.4949 3.2720 -2.0639 C.3 1 UNL1111111111 -0.2698 17 C -6.6778 4.1707 -1.7021 C.3 1 UNL1111111111 -0.4366 18 C -1.7378 1.6389 0.1388 C.3 1 UNL1111111111 -0.1305 19 C -0.6274 0.8950 -0.6473 C.3 1 UNL1111111111 0.1198 20 O -0.5102 1.3825 -1.9590 O.3 1 UNL1111111111 -0.5470 21 C 0.7326 1.0276 0.1064 C.3 1 UNL1111111111 0.0406 22 C 1.4596 2.3241 -0.3079 C.3 1 UNL1111111111 -0.3358 23 C 2.7238 2.5908 0.4521 C.ar 1 UNL1111111111 0.0149 24 C 2.8347 2.3151 1.8157 C.ar 1 UNL1111111111 -0.1598 25 C 4.0179 2.5957 2.4945 C.ar 1 UNL1111111111 -0.1351 26 C 5.0983 3.1582 1.8181 C.ar 1 UNL1111111111 -0.1669 27 C 4.9872 3.4484 0.4602 C.ar 1 UNL1111111111 -0.1530 28 C 3.8047 3.1675 -0.2205 C.ar 1 UNL1111111111 -0.1872 29 N 1.5334 -0.1604 -0.2024 N.am 1 UNL1111111111 -0.5743 30 C 2.2522 -0.7417 0.8186 C.2 1 UNL1111111111 0.7139 31 O 2.1307 -0.5520 2.0098 O.2 1 UNL1111111111 -0.5702 32 O 3.1187 -1.6497 0.2762 O.3 1 UNL1111111111 -0.4181 33 C 4.1126 -2.1615 1.1616 C.3 1 UNL1111111111 -0.0558 34 C 5.1620 -2.7257 0.1808 C.3 1 UNL1111111111 -0.0958 35 N 5.5468 -1.7938 -0.8801 N.am 1 UNL1111111111 -0.4665 36 C 6.2261 -0.5385 -0.4738 C.3 1 UNL1111111111 -0.1160 37 C 4.5532 -1.4962 -1.8589 C.2 1 UNL1111111111 0.7001 38 O 3.7976 -2.2830 -2.3743 O.2 1 UNL1111111111 -0.5088 39 N 4.6414 -0.1408 -2.2132 N.am 1 UNL1111111111 -0.6292 40 C 5.7622 0.5177 -1.5222 C.3 1 UNL1111111111 -0.0974 41 H -1.5218 -1.4471 1.7133 H 1 UNL1111111111 0.1761 42 H -0.9988 -3.7979 1.1063 H 1 UNL1111111111 0.1797 43 H -5.4305 -1.8714 -0.1190 H 1 UNL1111111111 0.1708 44 H -4.9097 -4.2077 -0.6911 H 1 UNL1111111111 0.1616 45 H -2.7868 -7.1822 -0.8539 H 1 UNL1111111111 0.1611 46 H -4.3060 -6.3991 -0.2825 H 1 UNL1111111111 0.1355 47 H -3.5348 -5.8631 -1.8294 H 1 UNL1111111111 0.1382 48 H -3.1092 1.9498 -2.0269 H 1 UNL1111111111 0.1416 49 H -4.4516 0.8372 -1.6712 H 1 UNL1111111111 0.1410 50 H -5.4573 2.4632 -0.0472 H 1 UNL1111111111 0.1759 51 H -4.5988 4.8348 0.0036 H 1 UNL1111111111 0.1455 52 H -3.4602 3.7154 0.7346 H 1 UNL1111111111 0.1491 53 H -3.1593 4.3590 -0.8973 H 1 UNL1111111111 0.1322 54 H -4.8191 3.7967 -2.7630 H 1 UNL1111111111 0.1300 55 H -5.8702 2.3846 -2.6104 H 1 UNL1111111111 0.1351 56 H -7.3027 4.3745 -2.5783 H 1 UNL1111111111 0.1393 57 H -7.3159 3.6996 -0.9439 H 1 UNL1111111111 0.1498 58 H -6.3474 5.1342 -1.2998 H 1 UNL1111111111 0.1414 59 H -1.7281 2.7145 -0.1427 H 1 UNL1111111111 0.1337 60 H -1.5149 1.6254 1.2351 H 1 UNL1111111111 0.1754 61 H -0.8857 -0.1791 -0.8195 H 1 UNL1111111111 0.1818 62 H -0.5674 2.3555 -1.9979 H 1 UNL1111111111 0.3055 63 H 0.5340 1.0394 1.2170 H 1 UNL1111111111 0.1759 64 H 1.6731 2.2811 -1.4000 H 1 UNL1111111111 0.1698 65 H 0.7752 3.1877 -0.1673 H 1 UNL1111111111 0.1569 66 H 2.0035 1.8625 2.3610 H 1 UNL1111111111 0.1741 67 H 4.0964 2.3707 3.5580 H 1 UNL1111111111 0.1532 68 H 6.0206 3.3768 2.3505 H 1 UNL1111111111 0.1488 69 H 5.8237 3.9010 -0.0685 H 1 UNL1111111111 0.1465 70 H 3.7238 3.4015 -1.2799 H 1 UNL1111111111 0.1506 71 H 1.8560 -0.2904 -1.1576 H 1 UNL1111111111 0.3377 72 H 4.5044 -1.3579 1.8074 H 1 UNL1111111111 0.1386 73 H 3.6525 -2.9432 1.7892 H 1 UNL1111111111 0.1482 74 H 6.0754 -3.0354 0.7345 H 1 UNL1111111111 0.1516 75 H 4.7503 -3.6399 -0.3213 H 1 UNL1111111111 0.1822 76 H 5.9689 -0.2191 0.5538 H 1 UNL1111111111 0.1401 77 H 7.3206 -0.7076 -0.5182 H 1 UNL1111111111 0.1525 78 H 4.3256 0.1929 -3.1030 H 1 UNL1111111111 0.3237 79 H 5.4024 1.4473 -1.0321 H 1 UNL1111111111 0.1563 80 H 6.5810 0.7861 -2.2178 H 1 UNL1111111111 0.1378 @BOND 1 2 1 2 2 2 3 2 3 4 2 1 4 5 4 ar 5 5 41 1 6 6 5 ar 7 6 42 1 8 7 4 ar 9 7 43 1 10 8 7 ar 11 8 44 1 12 9 6 ar 13 9 8 ar 14 10 9 1 15 11 10 1 16 11 45 1 17 11 46 1 18 11 47 1 19 12 2 1 20 13 12 1 21 13 48 1 22 13 49 1 23 14 13 1 24 14 15 1 25 14 50 1 26 15 51 1 27 15 52 1 28 15 53 1 29 16 17 1 30 16 14 1 31 16 54 1 32 16 55 1 33 17 56 1 34 17 57 1 35 17 58 1 36 18 19 1 37 18 12 1 38 18 59 1 39 18 60 1 40 19 21 1 41 19 61 1 42 20 19 1 43 20 62 1 44 21 22 1 45 21 29 1 46 21 63 1 47 22 23 1 48 22 64 1 49 22 65 1 50 23 28 ar 51 23 24 ar 52 24 25 ar 53 24 66 1 54 25 26 ar 55 25 67 1 56 26 68 1 57 27 26 ar 58 27 69 1 59 28 27 ar 60 28 70 1 61 29 30 am 62 29 71 1 63 30 32 1 64 30 31 2 65 32 33 1 66 33 34 1 67 33 72 1 68 33 73 1 69 34 35 1 70 34 74 1 71 34 75 1 72 35 36 1 73 36 40 1 74 36 76 1 75 36 77 1 76 37 35 am 77 37 39 am 78 38 37 2 79 39 40 1 80 39 78 1 81 40 79 1 82 40 80 1