@MOLECULE (4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide 80 82 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.1859 0.4899 -2.4416 S.3 1 UNL111111111 -0.0805 2 O -2.0845 -1.3070 -0.2895 O.2 1 UNL111111111 -0.5726 3 O -1.1655 4.4878 -0.0566 O.3 1 UNL111111111 -0.5234 4 O -2.2145 2.4520 1.4372 O.2 1 UNL111111111 -0.5431 5 O 1.1416 0.4198 1.4009 O.2 1 UNL111111111 -0.4709 6 O 1.8936 -1.8769 0.2812 O.3 1 UNL111111111 -0.2981 7 N -2.7002 1.3592 -0.4632 N.am 1 UNL111111111 -0.4811 8 N -3.1202 -1.4711 1.7199 N.am 1 UNL111111111 -0.6173 9 N 0.7753 1.4285 -0.5999 N.am 1 UNL111111111 -0.6486 10 C -4.8455 0.2076 -0.7103 C.3 1 UNL111111111 0.0656 11 C -3.6308 0.4587 0.2284 C.3 1 UNL111111111 -0.0342 12 C -2.5087 1.0310 -1.8669 C.3 1 UNL111111111 -0.0959 13 C -5.3878 -1.2075 -0.6127 C.3 1 UNL111111111 -0.4766 14 C -5.9455 1.2225 -0.4341 C.3 1 UNL111111111 -0.4650 15 C -2.8662 -0.8542 0.5252 C.2 1 UNL111111111 0.5771 16 C -1.9783 2.2849 0.2539 C.2 1 UNL111111111 0.5414 17 C -0.9347 3.1617 -0.4441 C.3 1 UNL111111111 0.0411 18 C -2.3661 -2.6895 2.1311 C.3 1 UNL111111111 0.3409 19 C 0.4949 2.7254 0.0101 C.3 1 UNL111111111 0.0734 20 C 1.4921 3.8148 -0.4346 C.3 1 UNL111111111 -0.3266 21 C -2.5421 -3.7844 1.0662 C.3 1 UNL111111111 -0.4874 22 C -0.8827 -2.3494 2.3180 C.3 1 UNL111111111 -0.4911 23 C -2.9643 -3.1607 3.4720 C.3 1 UNL111111111 -0.4941 24 C 2.8889 3.4899 -0.0079 C.ar 1 UNL111111111 0.0259 25 C 1.0855 0.3262 0.1998 C.2 1 UNL111111111 0.5763 26 C 3.7648 2.8710 -0.9027 C.ar 1 UNL111111111 -0.1819 27 C 3.3283 3.8316 1.2731 C.ar 1 UNL111111111 -0.1670 28 C 1.1962 -0.9782 -0.5762 C.3 1 UNL111111111 -0.1533 29 C 5.0754 2.5974 -0.5192 C.ar 1 UNL111111111 -0.1423 30 C 4.6398 3.5596 1.6541 C.ar 1 UNL111111111 -0.1303 31 C 5.5110 2.9391 0.7597 C.ar 1 UNL111111111 -0.1621 32 C 2.8339 -2.6405 -0.3785 C.ar 1 UNL111111111 0.1031 33 C 4.1833 -2.3391 -0.1615 C.ar 1 UNL111111111 0.0233 34 C 2.4290 -3.7635 -1.1109 C.ar 1 UNL111111111 0.0026 35 C 5.1452 -3.2076 -0.6836 C.ar 1 UNL111111111 -0.1937 36 C 3.4123 -4.6087 -1.6267 C.ar 1 UNL111111111 -0.1952 37 C 4.5835 -1.1340 0.6120 C.3 1 UNL111111111 -0.4543 38 C 0.9847 -4.0624 -1.3118 C.3 1 UNL111111111 -0.4449 39 C 4.7605 -4.3365 -1.4029 C.ar 1 UNL111111111 -0.1429 40 H -3.9668 0.9518 1.1836 H 1 UNL111111111 0.1914 41 H -2.1687 1.9063 -2.4553 H 1 UNL111111111 0.1527 42 H -1.7894 0.1892 -2.0008 H 1 UNL111111111 0.1823 43 H -5.7239 -1.4416 0.4055 H 1 UNL111111111 0.1570 44 H -4.6442 -1.9755 -0.8812 H 1 UNL111111111 0.1759 45 H -6.2522 -1.3591 -1.2753 H 1 UNL111111111 0.1640 46 H -5.5807 2.2595 -0.4781 H 1 UNL111111111 0.1684 47 H -6.3847 1.0783 0.5613 H 1 UNL111111111 0.1541 48 H -6.7721 1.1474 -1.1542 H 1 UNL111111111 0.1612 49 H -1.0329 3.1956 -1.5494 H 1 UNL111111111 0.1555 50 H -3.7063 -1.0411 2.4172 H 1 UNL111111111 0.3121 51 H 0.5086 2.6280 1.1347 H 1 UNL111111111 0.1938 52 H 1.1710 4.7912 -0.0018 H 1 UNL111111111 0.1774 53 H 1.4384 3.9728 -1.5296 H 1 UNL111111111 0.1527 54 H -2.0508 -3.5001 0.1234 H 1 UNL111111111 0.1791 55 H -3.5961 -3.9643 0.8374 H 1 UNL111111111 0.1453 56 H -2.1024 -4.7296 1.3956 H 1 UNL111111111 0.1484 57 H -0.4278 -1.9569 1.3950 H 1 UNL111111111 0.1834 58 H -0.3022 -3.2305 2.6077 H 1 UNL111111111 0.1551 59 H -0.7265 -1.5772 3.0804 H 1 UNL111111111 0.1638 60 H -2.4457 -4.0616 3.8215 H 1 UNL111111111 0.1597 61 H -4.0261 -3.4081 3.3830 H 1 UNL111111111 0.1478 62 H -2.8505 -2.4041 4.2567 H 1 UNL111111111 0.1541 63 H 0.9338 1.4135 -1.5910 H 1 UNL111111111 0.3054 64 H -1.3010 4.5388 0.9278 H 1 UNL111111111 0.3414 65 H 3.4285 2.6081 -1.9013 H 1 UNL111111111 0.1440 66 H 2.6450 4.3074 1.9735 H 1 UNL111111111 0.1554 67 H 1.6859 -0.8614 -1.5543 H 1 UNL111111111 0.1438 68 H 0.1747 -1.4064 -0.7167 H 1 UNL111111111 0.1899 69 H 5.7614 2.1251 -1.2201 H 1 UNL111111111 0.1471 70 H 4.9854 3.8327 2.6500 H 1 UNL111111111 0.1497 71 H 6.5323 2.7199 1.0610 H 1 UNL111111111 0.1486 72 H 6.1996 -3.0017 -0.5182 H 1 UNL111111111 0.1542 73 H 3.1258 -5.4911 -2.1930 H 1 UNL111111111 0.1512 74 H 5.3814 -1.3549 1.3354 H 1 UNL111111111 0.1587 75 H 3.7401 -0.7075 1.1879 H 1 UNL111111111 0.1878 76 H 4.9508 -0.3354 -0.0482 H 1 UNL111111111 0.1575 77 H 0.5563 -3.4501 -2.1205 H 1 UNL111111111 0.1587 78 H 0.3990 -3.8493 -0.4012 H 1 UNL111111111 0.1763 79 H 0.8044 -5.1140 -1.5707 H 1 UNL111111111 0.1511 80 H 5.5147 -5.0218 -1.7833 H 1 UNL111111111 0.1477 @BOND 1 1 10 1 2 1 12 1 3 2 15 2 4 3 17 1 5 3 64 1 6 4 16 2 7 5 25 2 8 6 28 1 9 6 32 1 10 7 11 1 11 7 12 1 12 7 16 am 13 8 15 am 14 8 18 1 15 8 50 1 16 9 19 1 17 9 25 am 18 9 63 1 19 10 11 1 20 10 13 1 21 10 14 1 22 11 15 1 23 11 40 1 24 12 41 1 25 12 42 1 26 13 43 1 27 13 44 1 28 13 45 1 29 14 46 1 30 14 47 1 31 14 48 1 32 16 17 1 33 17 19 1 34 17 49 1 35 18 21 1 36 18 22 1 37 18 23 1 38 19 20 1 39 19 51 1 40 20 24 1 41 20 52 1 42 20 53 1 43 21 54 1 44 21 55 1 45 21 56 1 46 22 57 1 47 22 58 1 48 22 59 1 49 23 60 1 50 23 61 1 51 23 62 1 52 24 26 ar 53 24 27 ar 54 25 28 1 55 26 29 ar 56 26 65 1 57 27 30 ar 58 27 66 1 59 28 67 1 60 28 68 1 61 29 31 ar 62 29 69 1 63 30 31 ar 64 30 70 1 65 31 71 1 66 32 33 ar 67 32 34 ar 68 33 35 ar 69 33 37 1 70 34 36 ar 71 34 38 1 72 35 39 ar 73 35 72 1 74 36 39 ar 75 36 73 1 76 37 74 1 77 37 75 1 78 37 76 1 79 38 77 1 80 38 78 1 81 38 79 1 82 39 80 1