@MOLECULE (3s,4r,5r)-4-acetamido-3-[4-(2-hydroxy-2-propanyl)-1h-1,2,3-triazol-1-yl]-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.6514 1.3787 -0.3821 C.3 1 UNL1111111111 -0.4966 2 C -4.9082 0.0823 -0.7092 C.3 1 UNL1111111111 0.3799 3 C -5.8020 -1.1543 -0.5994 C.3 1 UNL1111111111 -0.4630 4 O -4.4962 0.1059 -2.0682 O.3 1 UNL1111111111 -0.5712 5 C -3.6838 -0.0616 0.1375 C.ar 1 UNL1111111111 -0.0926 6 C -2.3832 -0.3926 -0.2544 C.ar 1 UNL1111111111 -0.0584 7 N -3.6634 0.1338 1.5208 N.ar 1 UNL1111111111 -0.1995 8 N -2.4693 -0.0479 1.9723 N.ar 1 UNL1111111111 -0.0667 9 N -1.6502 -0.3759 0.9244 N.ar 1 UNL1111111111 -0.1886 10 C -0.2179 -0.5791 1.1050 C.3 1 UNL1111111111 0.0334 11 C 0.5902 0.3769 0.1603 C.3 1 UNL1111111111 0.0401 12 N 0.3784 1.7650 0.5448 N.am 1 UNL1111111111 -0.6144 13 C -0.5165 2.5456 -0.1778 C.2 1 UNL1111111111 0.6294 14 O -1.1874 2.0404 -1.0538 O.2 1 UNL1111111111 -0.5461 15 C -0.6125 3.9812 0.2455 C.3 1 UNL1111111111 -0.5250 16 C 0.1337 -2.0162 0.8400 C.2 1 UNL1111111111 -0.1287 17 C 1.2798 -2.3820 0.2515 C.2 1 UNL1111111111 -0.0896 18 C 1.5451 -3.8212 0.0539 C.2 1 UNL1111111111 0.6314 19 O 0.8958 -4.7568 0.4434 O.2 1 UNL1111111111 -0.4882 20 O 2.6808 -4.0222 -0.6673 O.3 1 UNL1111111111 -0.5579 21 C 2.3071 -1.4318 -0.2525 C.3 1 UNL1111111111 -0.3172 22 C 2.0891 -0.0119 0.2927 C.3 1 UNL1111111111 0.0792 23 O 2.7548 0.9076 -0.5409 O.3 1 UNL1111111111 -0.4122 24 C 4.0989 1.2139 -0.1720 C.3 1 UNL1111111111 0.1208 25 C 4.7291 1.6292 -1.5124 C.3 1 UNL1111111111 -0.2855 26 C 4.9488 0.4150 -2.4101 C.3 1 UNL1111111111 -0.4317 27 C 4.0769 2.3824 0.8305 C.3 1 UNL1111111111 -0.3161 28 C 4.2091 1.9178 2.2777 C.3 1 UNL1111111111 -0.4397 29 H -6.5012 1.5225 -1.0585 H 1 UNL1111111111 0.1614 30 H -6.0273 1.3638 0.6495 H 1 UNL1111111111 0.1693 31 H -4.9957 2.2516 -0.4751 H 1 UNL1111111111 0.1545 32 H -6.6851 -1.0547 -1.2420 H 1 UNL1111111111 0.1615 33 H -5.2646 -2.0547 -0.9254 H 1 UNL1111111111 0.1616 34 H -6.1333 -1.3076 0.4336 H 1 UNL1111111111 0.1599 35 H -3.8687 0.8408 -2.2296 H 1 UNL1111111111 0.3264 36 H -1.9675 -0.6005 -1.2216 H 1 UNL1111111111 0.2027 37 H 0.0358 -0.3366 2.1824 H 1 UNL1111111111 0.1902 38 H 0.2612 0.2301 -0.9077 H 1 UNL1111111111 0.1942 39 H 1.0084 2.1626 1.2187 H 1 UNL1111111111 0.3125 40 H 0.3673 4.4710 0.3091 H 1 UNL1111111111 0.1690 41 H -1.2176 4.5510 -0.4807 H 1 UNL1111111111 0.1920 42 H -1.1088 4.0764 1.2229 H 1 UNL1111111111 0.1838 43 H -0.6084 -2.7491 1.1795 H 1 UNL1111111111 0.1949 44 H 2.8729 -4.9790 -0.8310 H 1 UNL1111111111 0.3568 45 H 3.3323 -1.7818 -0.0098 H 1 UNL1111111111 0.1735 46 H 2.4351 0.0734 1.3445 H 1 UNL1111111111 0.1273 47 H 4.5995 0.3195 0.2493 H 1 UNL1111111111 0.1223 48 H 4.0600 2.3543 -2.0202 H 1 UNL1111111111 0.1577 49 H 5.6842 2.1556 -1.3364 H 1 UNL1111111111 0.1407 50 H 4.0054 -0.1229 -2.5785 H 1 UNL1111111111 0.1569 51 H 5.3358 0.7105 -3.3916 H 1 UNL1111111111 0.1447 52 H 5.6603 -0.2929 -1.9726 H 1 UNL1111111111 0.1387 53 H 4.8919 3.0950 0.5996 H 1 UNL1111111111 0.1473 54 H 3.1407 2.9579 0.6887 H 1 UNL1111111111 0.1512 55 H 4.2321 2.7733 2.9651 H 1 UNL1111111111 0.1471 56 H 3.3765 1.2767 2.5883 H 1 UNL1111111111 0.1401 57 H 5.1373 1.3544 2.4378 H 1 UNL1111111111 0.1466 58 H 2.2906 -1.4075 -1.3689 H 1 UNL1111111111 0.1900 @BOND 1 1 29 1 2 1 30 1 3 1 31 1 4 2 1 1 5 2 4 1 6 3 2 1 7 3 32 1 8 3 33 1 9 3 34 1 10 4 35 1 11 5 2 1 12 5 6 ar 13 6 36 1 14 7 8 ar 15 7 5 ar 16 8 9 ar 17 9 10 1 18 9 6 ar 19 10 11 1 20 10 37 1 21 11 22 1 22 11 12 1 23 11 38 1 24 12 39 1 25 13 12 am 26 13 14 2 27 15 13 1 28 15 40 1 29 15 41 1 30 15 42 1 31 16 10 1 32 16 43 1 33 17 16 2 34 17 21 1 35 18 20 1 36 18 17 1 37 19 18 2 38 20 44 1 39 21 22 1 40 21 45 1 41 21 58 1 42 22 46 1 43 23 22 1 44 23 24 1 45 24 27 1 46 24 47 1 47 25 24 1 48 25 48 1 49 25 49 1 50 26 25 1 51 26 50 1 52 26 51 1 53 26 52 1 54 27 53 1 55 27 54 1 56 28 27 1 57 28 55 1 58 28 56 1 59 28 57 1