@MOLECULE (2s,3s)-3-amino-5-(ethylsulfanyl)-2-hydroxy-n-[(1s)-1-(1-naphthyl)ethyl]pentanamide 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.0373 -2.3765 0.3888 C.3 1 UNL1111111111111 -0.4298 2 C 6.5723 -2.1919 0.7448 C.3 1 UNL1111111111111 -0.2897 3 S 6.0636 -0.4763 0.2983 S.3 1 UNL1111111111111 -0.0512 4 C 4.2335 -0.6514 0.1996 C.3 1 UNL1111111111111 -0.3241 5 C 3.6270 0.7265 -0.0306 C.3 1 UNL1111111111111 -0.3099 6 C 2.0944 0.6318 -0.1823 C.3 1 UNL1111111111111 0.0263 7 C 1.4949 2.0662 -0.2353 C.3 1 UNL1111111111111 0.0512 8 C -0.0147 2.0924 0.0529 C.2 1 UNL1111111111111 0.5329 9 N -0.8075 1.3140 -0.7400 N.am 1 UNL1111111111111 -0.5803 10 C -2.2695 1.3461 -0.6016 C.3 1 UNL1111111111111 0.1063 11 C -2.8615 -0.0464 -0.6895 C.ar 1 UNL1111111111111 -0.0391 12 O -0.4571 2.8319 0.9170 O.2 1 UNL1111111111111 -0.5683 13 C -2.8755 2.2114 -1.7222 C.3 1 UNL1111111111111 -0.4659 14 C -2.4460 -0.9064 -1.6779 C.ar 1 UNL1111111111111 -0.1640 15 C -3.0145 -2.1954 -1.8102 C.ar 1 UNL1111111111111 -0.1429 16 C -4.0152 -2.5953 -0.9657 C.ar 1 UNL1111111111111 -0.1618 17 C -4.4783 -1.7231 0.0573 C.ar 1 UNL1111111111111 -0.0014 18 C -3.8931 -0.4452 0.2143 C.ar 1 UNL1111111111111 -0.0193 19 C -5.5316 -2.1308 0.9233 C.ar 1 UNL1111111111111 -0.1575 20 C -5.9777 -1.2988 1.9156 C.ar 1 UNL1111111111111 -0.1419 21 C -5.3856 -0.0245 2.0900 C.ar 1 UNL1111111111111 -0.1398 22 C -4.3719 0.3879 1.2645 C.ar 1 UNL1111111111111 -0.1552 23 O 2.1699 2.8366 0.7270 O.3 1 UNL1111111111111 -0.5504 24 N 1.6727 -0.0628 -1.4234 N.3 1 UNL1111111111111 -0.6737 25 H 8.6921 -1.6789 0.9301 H 1 UNL1111111111111 0.1560 26 H 8.3751 -3.3909 0.6426 H 1 UNL1111111111111 0.1482 27 H 8.2283 -2.2371 -0.6844 H 1 UNL1111111111111 0.1555 28 H 5.9439 -2.9246 0.2101 H 1 UNL1111111111111 0.1447 29 H 6.4054 -2.3511 1.8258 H 1 UNL1111111111111 0.1532 30 H 3.9834 -1.3464 -0.6190 H 1 UNL1111111111111 0.1403 31 H 3.8490 -1.0968 1.1350 H 1 UNL1111111111111 0.1555 32 H 3.8623 1.4079 0.8225 H 1 UNL1111111111111 0.1930 33 H 4.0640 1.2280 -0.9160 H 1 UNL1111111111111 0.1557 34 H 1.6615 0.0861 0.6943 H 1 UNL1111111111111 0.1556 35 H 1.7062 2.5590 -1.2131 H 1 UNL1111111111111 0.1546 36 H -0.3817 0.6353 -1.3681 H 1 UNL1111111111111 0.3438 37 H -2.5066 1.8223 0.3958 H 1 UNL1111111111111 0.1754 38 H -3.9696 2.2161 -1.6628 H 1 UNL1111111111111 0.1544 39 H -2.5294 3.2495 -1.6425 H 1 UNL1111111111111 0.1618 40 H -2.5971 1.8432 -2.7152 H 1 UNL1111111111111 0.1525 41 H -1.6771 -0.6131 -2.3929 H 1 UNL1111111111111 0.1548 42 H -2.6482 -2.8534 -2.5962 H 1 UNL1111111111111 0.1519 43 H -4.4711 -3.5789 -1.0622 H 1 UNL1111111111111 0.1542 44 H -5.9729 -3.1155 0.7787 H 1 UNL1111111111111 0.1524 45 H -6.7854 -1.6024 2.5798 H 1 UNL1111111111111 0.1508 46 H -5.7478 0.6193 2.8905 H 1 UNL1111111111111 0.1549 47 H -3.9173 1.3691 1.4145 H 1 UNL1111111111111 0.1609 48 H 1.5267 3.2357 1.3697 H 1 UNL1111111111111 0.3541 49 H 2.2008 0.2477 -2.2260 H 1 UNL1111111111111 0.2566 50 H 1.7757 -1.0631 -1.3434 H 1 UNL1111111111111 0.2587 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 28 1 7 2 29 1 8 3 4 1 9 4 5 1 10 4 30 1 11 4 31 1 12 5 6 1 13 5 32 1 14 5 33 1 15 6 7 1 16 6 24 1 17 6 34 1 18 7 8 1 19 7 23 1 20 7 35 1 21 8 9 am 22 8 12 2 23 9 10 1 24 9 36 1 25 10 11 1 26 10 13 1 27 10 37 1 28 11 14 ar 29 11 18 ar 30 13 38 1 31 13 39 1 32 13 40 1 33 14 15 ar 34 14 41 1 35 15 16 ar 36 15 42 1 37 16 17 ar 38 16 43 1 39 17 18 ar 40 17 19 ar 41 18 22 ar 42 19 20 ar 43 19 44 1 44 20 21 ar 45 20 45 1 46 21 22 ar 47 21 46 1 48 22 47 1 49 23 48 1 50 24 49 1 51 24 50 1