@MOLECULE (4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide 86 90 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.3282 0.1422 1.0930 N.am 1 UNL1111111111 -0.5874 2 O 5.3266 2.3797 2.1164 O.3 1 UNL1111111111 -0.5535 3 C 5.6889 0.4408 0.6667 C.3 1 UNL1111111111 0.0270 4 C 5.8004 1.0427 -0.7148 C.ar 1 UNL1111111111 -0.0762 5 C 5.1652 0.6514 -1.8775 C.ar 1 UNL1111111111 -0.1164 6 C 5.4444 1.3516 -3.0574 C.ar 1 UNL1111111111 -0.1578 7 C 6.3286 1.5475 1.5903 C.3 1 UNL1111111111 0.1490 8 C 6.7141 2.1123 -0.7132 C.ar 1 UNL1111111111 -0.0113 9 C 6.9980 2.7989 -1.8792 C.ar 1 UNL1111111111 -0.1774 10 C 6.3494 2.4090 -3.0578 C.ar 1 UNL1111111111 -0.1339 11 C 7.2639 2.3550 0.6579 C.3 1 UNL1111111111 -0.3550 12 C -2.4560 -0.3869 0.7701 C.2 1 UNL1111111111 0.5811 13 O -2.0423 -1.2839 1.4787 O.2 1 UNL1111111111 -0.5562 14 C -3.2712 0.7610 1.3480 C.3 1 UNL1111111111 -0.1219 15 O -3.9467 1.3463 0.2358 O.3 1 UNL1111111111 -0.3774 16 C -4.7377 2.4180 0.5876 C.ar 1 UNL1111111111 0.1215 17 C -6.0611 2.1861 0.9744 C.ar 1 UNL1111111111 0.0121 18 C -6.5874 0.8023 1.1138 C.3 1 UNL1111111111 -0.4504 19 C -6.8768 3.2940 1.2144 C.ar 1 UNL1111111111 -0.1899 20 C -6.3745 4.5843 1.0616 C.ar 1 UNL1111111111 -0.1392 21 C -5.0563 4.7916 0.6599 C.ar 1 UNL1111111111 -0.1911 22 C -4.2161 3.7047 0.4131 C.ar 1 UNL1111111111 0.0132 23 C -2.8184 3.8989 -0.0561 C.3 1 UNL1111111111 -0.4383 24 C 1.5656 -2.9203 -0.4808 C.3 1 UNL1111111111 -0.1055 25 N 1.4890 -1.5151 -0.1150 N.am 1 UNL1111111111 -0.4885 26 O 4.3124 -1.8342 -0.0017 O.2 1 UNL1111111111 -0.5333 27 S 1.6315 -3.8337 1.1303 S.3 1 UNL1111111111 -0.0688 28 C 2.0595 -2.3135 2.1385 C.3 1 UNL1111111111 0.0675 29 C 3.3200 -2.5722 2.9443 C.3 1 UNL1111111111 -0.4781 30 C 0.8879 -1.9898 3.0524 C.3 1 UNL1111111111 -0.4794 31 C 2.2465 -1.1787 1.0936 C.3 1 UNL1111111111 -0.0224 32 C 3.7194 -1.0146 0.6684 C.2 1 UNL1111111111 0.5598 33 C -1.5370 -1.4454 -1.2553 C.3 1 UNL1111111111 0.0533 34 N -2.1774 -0.3232 -0.5738 N.am 1 UNL1111111111 -0.5698 35 O -0.4440 0.1649 -2.6967 O.3 1 UNL1111111111 -0.5226 36 C -2.4501 -1.9869 -2.3800 C.3 1 UNL1111111111 -0.3259 37 O 0.8422 0.6185 -0.3948 O.2 1 UNL1111111111 -0.5400 38 C -3.8367 -2.1979 -1.8536 C.ar 1 UNL1111111111 0.0164 39 C -4.8782 -1.3689 -2.2747 C.ar 1 UNL1111111111 -0.1732 40 C -6.1541 -1.5251 -1.7378 C.ar 1 UNL1111111111 -0.1389 41 C -6.3944 -2.5081 -0.7800 C.ar 1 UNL1111111111 -0.1668 42 C -5.3575 -3.3431 -0.3665 C.ar 1 UNL1111111111 -0.1381 43 C -4.0821 -3.1930 -0.9043 C.ar 1 UNL1111111111 -0.1680 44 C -0.1987 -0.9450 -1.8783 C.3 1 UNL1111111111 0.0434 45 C 0.7491 -0.5440 -0.7456 C.2 1 UNL1111111111 0.5409 46 H 3.8436 0.8720 1.5982 H 1 UNL1111111111 0.3321 47 H 4.9224 2.9352 1.4138 H 1 UNL1111111111 0.3273 48 H 6.3037 -0.5013 0.7073 H 1 UNL1111111111 0.1775 49 H 4.4675 -0.1865 -1.8780 H 1 UNL1111111111 0.1727 50 H 4.9467 1.0614 -3.9811 H 1 UNL1111111111 0.1542 51 H 6.8144 1.1326 2.4910 H 1 UNL1111111111 0.1489 52 H 7.7045 3.6231 -1.8871 H 1 UNL1111111111 0.1527 53 H 6.5587 2.9419 -3.9834 H 1 UNL1111111111 0.1488 54 H 7.2769 3.4242 0.9349 H 1 UNL1111111111 0.1699 55 H 8.3112 2.0106 0.7387 H 1 UNL1111111111 0.1675 56 H -4.0068 0.3791 2.0812 H 1 UNL1111111111 0.1622 57 H -2.6141 1.5060 1.8345 H 1 UNL1111111111 0.1604 58 H -6.4793 0.4329 2.1443 H 1 UNL1111111111 0.1606 59 H -7.6532 0.7363 0.8558 H 1 UNL1111111111 0.1569 60 H -6.0573 0.0905 0.4562 H 1 UNL1111111111 0.1770 61 H -7.9105 3.1477 1.5187 H 1 UNL1111111111 0.1542 62 H -7.0199 5.4402 1.2529 H 1 UNL1111111111 0.1503 63 H -4.6818 5.8049 0.5343 H 1 UNL1111111111 0.1552 64 H -2.4398 4.9101 0.1432 H 1 UNL1111111111 0.1541 65 H -2.1181 3.1897 0.4111 H 1 UNL1111111111 0.1657 66 H -2.7492 3.7330 -1.1439 H 1 UNL1111111111 0.1659 67 H 0.6951 -3.2635 -1.0685 H 1 UNL1111111111 0.1520 68 H 2.5053 -3.1206 -1.0525 H 1 UNL1111111111 0.1838 69 H 4.1648 -2.9121 2.3231 H 1 UNL1111111111 0.1779 70 H 3.6520 -1.6658 3.4696 H 1 UNL1111111111 0.1598 71 H 3.1674 -3.3427 3.7123 H 1 UNL1111111111 0.1614 72 H 0.6538 -2.8100 3.7429 H 1 UNL1111111111 0.1602 73 H 1.0856 -1.1045 3.6690 H 1 UNL1111111111 0.1523 74 H -0.0445 -1.7857 2.4926 H 1 UNL1111111111 0.1971 75 H 1.8491 -0.2103 1.5151 H 1 UNL1111111111 0.1927 76 H -1.3277 -2.2641 -0.5094 H 1 UNL1111111111 0.1801 77 H -2.6121 0.3778 -1.1631 H 1 UNL1111111111 0.3342 78 H -0.4022 1.0010 -2.1621 H 1 UNL1111111111 0.3464 79 H -2.4468 -1.2788 -3.2375 H 1 UNL1111111111 0.1746 80 H -2.0366 -2.9324 -2.7821 H 1 UNL1111111111 0.1583 81 H -4.6956 -0.5923 -3.0148 H 1 UNL1111111111 0.1541 82 H -6.9624 -0.8734 -2.0650 H 1 UNL1111111111 0.1512 83 H -7.3891 -2.6259 -0.3571 H 1 UNL1111111111 0.1486 84 H -5.5425 -4.1104 0.3827 H 1 UNL1111111111 0.1491 85 H -3.2735 -3.8405 -0.5694 H 1 UNL1111111111 0.1573 86 H 0.2401 -1.6922 -2.5754 H 1 UNL1111111111 0.1621 @BOND 1 1 32 am 2 1 46 1 3 2 47 1 4 3 1 1 5 3 7 1 6 3 48 1 7 4 3 1 8 5 4 ar 9 5 49 1 10 6 5 ar 11 6 50 1 12 7 2 1 13 7 51 1 14 8 4 ar 15 8 11 1 16 9 8 ar 17 9 52 1 18 10 6 ar 19 10 9 ar 20 10 53 1 21 11 7 1 22 11 54 1 23 11 55 1 24 12 14 1 25 13 12 2 26 14 15 1 27 14 56 1 28 14 57 1 29 15 16 1 30 16 22 ar 31 17 16 ar 32 17 19 ar 33 18 17 1 34 18 58 1 35 18 59 1 36 18 60 1 37 19 20 ar 38 19 61 1 39 20 21 ar 40 20 62 1 41 21 63 1 42 22 21 ar 43 22 23 1 44 23 64 1 45 23 65 1 46 23 66 1 47 24 27 1 48 24 67 1 49 24 68 1 50 25 24 1 51 25 31 1 52 26 32 2 53 28 27 1 54 28 30 1 55 29 28 1 56 29 69 1 57 29 70 1 58 29 71 1 59 30 72 1 60 30 73 1 61 30 74 1 62 31 28 1 63 31 75 1 64 32 31 1 65 33 34 1 66 33 44 1 67 33 76 1 68 34 12 am 69 34 77 1 70 35 78 1 71 36 33 1 72 36 79 1 73 36 80 1 74 37 45 2 75 38 36 1 76 39 38 ar 77 39 81 1 78 40 39 ar 79 40 82 1 80 41 40 ar 81 41 42 ar 82 41 83 1 83 42 43 ar 84 42 84 1 85 43 38 ar 86 43 85 1 87 44 35 1 88 44 45 1 89 44 86 1 90 45 25 am