@MOLECULE (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamate 80 83 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.7702 4.7272 -0.4564 C.3 1 UNL1111111111 -0.2068 2 O -1.4826 3.8011 0.5825 O.3 1 UNL1111111111 -0.3199 3 C -0.2619 3.2144 0.5841 C.ar 1 UNL1111111111 0.2930 4 C -0.1091 2.2764 1.6216 C.ar 1 UNL1111111111 -0.2390 5 C 1.0874 1.5897 1.7288 C.ar 1 UNL1111111111 -0.0097 6 C 2.1299 1.8386 0.8250 C.ar 1 UNL1111111111 -0.4598 7 C 1.9689 2.7842 -0.1845 C.ar 1 UNL1111111111 0.0016 8 C 0.7679 3.4775 -0.3211 C.ar 1 UNL1111111111 -0.3338 9 S 3.6280 0.9551 0.9819 S.O2 1 UNL1111111111 2.3475 10 O 4.7546 1.8603 0.9816 O.2 1 UNL1111111111 -0.9028 11 O 3.4616 -0.0320 2.0291 O.2 1 UNL1111111111 -0.9292 12 N 3.7179 0.0848 -0.5441 N.3 1 UNL1111111111 -0.7626 13 C 5.0328 -0.0089 -1.1917 C.3 1 UNL1111111111 -0.0791 14 C 6.1659 -0.7092 -0.3931 C.3 1 UNL1111111111 -0.1279 15 C 5.7915 -2.1320 0.0205 C.3 1 UNL1111111111 -0.4566 16 C 7.4308 -0.7109 -1.2760 C.3 1 UNL1111111111 -0.2716 17 C 2.8811 -1.1185 -0.6520 C.3 1 UNL1111111111 -0.1388 18 C 1.5638 -0.7193 -1.3637 C.3 1 UNL1111111111 0.1087 19 C 8.6875 -1.0280 -0.4654 C.3 1 UNL1111111111 -0.4354 20 O 1.4649 -1.4124 -2.5948 O.3 1 UNL1111111111 -0.5790 21 C 0.3136 -1.1571 -0.5576 C.3 1 UNL1111111111 0.0816 22 N -0.8368 -0.4553 -1.1427 N.am 1 UNL1111111111 -0.5885 23 C -1.7720 0.0884 -0.2994 C.2 1 UNL1111111111 0.7186 24 O -1.6791 0.2180 0.9016 O.2 1 UNL1111111111 -0.5576 25 O -2.8424 0.5336 -1.0350 O.3 1 UNL1111111111 -0.4519 26 C -3.8194 1.2506 -0.2867 C.3 1 UNL1111111111 0.1012 27 C -4.7264 1.8955 -1.3553 C.3 1 UNL1111111111 -0.0612 28 O -6.0359 1.8717 -0.8135 O.3 1 UNL1111111111 -0.4196 29 C -6.1817 0.8014 0.0984 C.3 1 UNL1111111111 0.3107 30 O -6.8383 -0.2757 -0.5183 O.3 1 UNL1111111111 -0.4177 31 C -5.9049 -1.2981 -0.8561 C.3 1 UNL1111111111 -0.0268 32 C -4.7243 -1.1455 0.1124 C.3 1 UNL1111111111 -0.3103 33 C -4.7613 0.3324 0.5204 C.3 1 UNL1111111111 -0.2203 34 C 0.1227 -2.6870 -0.6147 C.3 1 UNL1111111111 -0.3288 35 C -2.1229 -3.7795 -0.4048 C.ar 1 UNL1111111111 -0.1816 36 C -3.2198 -4.1803 0.3553 C.ar 1 UNL1111111111 -0.1427 37 C -3.2568 -3.9166 1.7228 C.ar 1 UNL1111111111 -0.1692 38 C -2.1894 -3.2580 2.3318 C.ar 1 UNL1111111111 -0.1314 39 C -1.0869 -2.8664 1.5774 C.ar 1 UNL1111111111 -0.1574 40 C -1.0532 -3.1204 0.2036 C.ar 1 UNL1111111111 0.0085 41 H -1.1088 5.5969 -0.3986 H 1 UNL1111111111 0.1349 42 H -1.7138 4.2456 -1.4378 H 1 UNL1111111111 0.1381 43 H -2.8060 5.0178 -0.2257 H 1 UNL1111111111 0.1622 44 H -0.9407 2.0765 2.2978 H 1 UNL1111111111 0.1893 45 H 1.2034 0.8449 2.5290 H 1 UNL1111111111 0.1818 46 H 2.7804 2.9993 -0.8879 H 1 UNL1111111111 0.1588 47 H 0.6495 4.2032 -1.1161 H 1 UNL1111111111 0.1615 48 H 4.9064 -0.5140 -2.1748 H 1 UNL1111111111 0.1282 49 H 5.3598 1.0379 -1.4189 H 1 UNL1111111111 0.1528 50 H 6.3812 -0.1090 0.5274 H 1 UNL1111111111 0.1637 51 H 5.4834 -2.7421 -0.8328 H 1 UNL1111111111 0.1346 52 H 6.6415 -2.6394 0.4932 H 1 UNL1111111111 0.1460 53 H 4.9814 -2.1327 0.7627 H 1 UNL1111111111 0.1598 54 H 7.3178 -1.4399 -2.0990 H 1 UNL1111111111 0.1313 55 H 7.5528 0.2789 -1.7582 H 1 UNL1111111111 0.1346 56 H 3.3801 -1.9157 -1.2495 H 1 UNL1111111111 0.1570 57 H 2.6831 -1.5951 0.3368 H 1 UNL1111111111 0.1629 58 H 1.5273 0.3755 -1.5751 H 1 UNL1111111111 0.1493 59 H 9.5866 -0.9669 -1.0883 H 1 UNL1111111111 0.1407 60 H 8.8132 -0.3238 0.3663 H 1 UNL1111111111 0.1495 61 H 8.6506 -2.0366 -0.0392 H 1 UNL1111111111 0.1435 62 H 2.1348 -1.0871 -3.2256 H 1 UNL1111111111 0.3239 63 H 0.4321 -0.8258 0.5145 H 1 UNL1111111111 0.1785 64 H -1.0405 -0.6258 -2.1176 H 1 UNL1111111111 0.3321 65 H -3.3006 1.9916 0.3583 H 1 UNL1111111111 0.1543 66 H -4.5175 2.9584 -1.5407 H 1 UNL1111111111 0.1384 67 H -4.7154 1.3317 -2.3041 H 1 UNL1111111111 0.1467 68 H -6.8814 1.1773 0.8638 H 1 UNL1111111111 0.1450 69 H -6.4678 -2.2357 -0.7360 H 1 UNL1111111111 0.1347 70 H -5.6149 -1.1591 -1.9097 H 1 UNL1111111111 0.1264 71 H -4.8376 -1.7970 0.9976 H 1 UNL1111111111 0.1542 72 H -3.7701 -1.4487 -0.3485 H 1 UNL1111111111 0.1642 73 H -4.5749 0.4470 1.6050 H 1 UNL1111111111 0.1654 74 H 0.0243 -3.0117 -1.6736 H 1 UNL1111111111 0.1745 75 H 1.0443 -3.1904 -0.2542 H 1 UNL1111111111 0.1658 76 H -2.1022 -3.9836 -1.4731 H 1 UNL1111111111 0.1517 77 H -4.0485 -4.7007 -0.1210 H 1 UNL1111111111 0.1499 78 H -4.1148 -4.2260 2.3151 H 1 UNL1111111111 0.1499 79 H -2.2181 -3.0455 3.3989 H 1 UNL1111111111 0.1497 80 H -0.2583 -2.3489 2.0592 H 1 UNL1111111111 0.1596 @BOND 1 1 2 1 2 1 41 1 3 1 42 1 4 1 43 1 5 2 3 1 6 3 4 ar 7 3 8 ar 8 4 5 ar 9 4 44 1 10 5 6 ar 11 5 45 1 12 6 7 ar 13 6 9 1 14 7 8 ar 15 7 46 1 16 8 47 1 17 9 10 2 18 9 11 2 19 9 12 1 20 12 13 1 21 12 17 1 22 13 14 1 23 13 48 1 24 13 49 1 25 14 15 1 26 14 16 1 27 14 50 1 28 15 51 1 29 15 52 1 30 15 53 1 31 16 19 1 32 16 54 1 33 16 55 1 34 17 18 1 35 17 56 1 36 17 57 1 37 18 20 1 38 18 21 1 39 18 58 1 40 19 59 1 41 19 60 1 42 19 61 1 43 20 62 1 44 21 22 1 45 21 34 1 46 21 63 1 47 22 23 am 48 22 64 1 49 23 24 2 50 23 25 1 51 25 26 1 52 26 27 1 53 26 33 1 54 26 65 1 55 27 28 1 56 27 66 1 57 27 67 1 58 28 29 1 59 29 30 1 60 29 33 1 61 29 68 1 62 30 31 1 63 31 32 1 64 31 69 1 65 31 70 1 66 32 33 1 67 32 71 1 68 32 72 1 69 33 73 1 70 34 40 1 71 34 74 1 72 34 75 1 73 35 36 ar 74 35 40 ar 75 35 76 1 76 36 37 ar 77 36 77 1 78 37 38 ar 79 37 78 1 80 38 39 ar 81 38 79 1 82 39 40 ar 83 39 80 1