@MOLECULE n~2~-[(benzyloxy)carbonyl]-n-[(2s)-1-oxo-2-hexanyl]-l-leucinamide 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6298 -0.2914 1.9101 O.2 1 UNL1111111111 -0.5059 2 O 2.3576 -0.0394 -0.0447 O.3 1 UNL1111111111 -0.4045 3 O -6.3596 0.4534 1.0877 O.2 1 UNL1111111111 -0.4276 4 O 0.5956 0.4189 -1.4256 O.2 1 UNL1111111111 -0.5737 5 N -3.0460 -0.2596 0.1294 N.am 1 UNL1111111111 -0.6098 6 N 0.4600 -1.1871 0.2251 N.am 1 UNL1111111111 -0.5745 7 CB -1.2653 -2.9511 0.2913 C.3 1 UNL1111111111 -0.3122 8 CA -0.9317 -1.4958 -0.0788 C.3 1 UNL1111111111 0.0182 9 CG -0.4708 -3.9723 -0.5408 C.3 1 UNL1111111111 -0.0476 10 CA -3.9987 0.6510 0.7708 C.3 1 UNL1111111111 -0.0288 11 C -4.2686 1.8731 -0.1179 C.3 1 UNL1111111111 -0.2996 12 C -1.8628 -0.5972 0.7641 C.2 1 UNL1111111111 0.5392 13 C -3.0022 2.7149 -0.2967 C.3 1 UNL1111111111 -0.2724 14 CD1 -0.7822 -3.8398 -2.0344 C.3 1 UNL1111111111 -0.4577 15 CD2 -0.8108 -5.3852 -0.0502 C.3 1 UNL1111111111 -0.4582 16 C -3.2710 3.9275 -1.1965 C.3 1 UNL1111111111 -0.2481 17 C -5.2986 -0.1139 1.0459 C.2 1 UNL1111111111 0.3174 18 C 1.0798 -0.1924 -0.4957 C.2 1 UNL1111111111 0.7159 19 C -1.9947 4.7477 -1.3776 C.3 1 UNL1111111111 -0.4402 20 C 3.1082 0.9588 -0.7620 C.3 1 UNL1111111111 -0.0176 21 C 4.4656 0.8766 -0.1390 C.ar 1 UNL1111111111 -0.0444 22 C 4.7546 1.6393 0.9931 C.ar 1 UNL1111111111 -0.1284 23 C 5.4332 0.0339 -0.6836 C.ar 1 UNL1111111111 -0.1330 24 C 6.0314 1.5949 1.5484 C.ar 1 UNL1111111111 -0.1545 25 C 6.7100 -0.0083 -0.1278 C.ar 1 UNL1111111111 -0.1558 26 C 7.0111 0.7824 0.9800 C.ar 1 UNL1111111111 -0.1372 27 HB1 -2.3508 -3.1241 0.1556 H 1 UNL1111111111 0.1568 28 HB2 -1.0714 -3.1116 1.3714 H 1 UNL1111111111 0.1597 29 HA -1.1041 -1.3208 -1.1803 H 1 UNL1111111111 0.1790 30 HG 0.6224 -3.7927 -0.3858 H 1 UNL1111111111 0.1422 31 HA -3.5878 0.9900 1.7681 H 1 UNL1111111111 0.1949 32 H -5.0789 2.4786 0.3411 H 1 UNL1111111111 0.1691 33 H -4.6683 1.5595 -1.1018 H 1 UNL1111111111 0.1450 34 H -3.1516 -0.3742 -0.8684 H 1 UNL1111111111 0.3143 35 H -2.1863 2.1043 -0.7314 H 1 UNL1111111111 0.1484 36 H -2.6238 3.0513 0.6880 H 1 UNL1111111111 0.1448 37 HD11 -0.4112 -2.8910 -2.4406 H 1 UNL1111111111 0.1493 38 HD12 -0.3000 -4.6376 -2.6098 H 1 UNL1111111111 0.1462 39 HD13 -1.8565 -3.8925 -2.2355 H 1 UNL1111111111 0.1428 40 HD21 -1.8667 -5.6278 -0.2111 H 1 UNL1111111111 0.1440 41 HD22 -0.2188 -6.1413 -0.5820 H 1 UNL1111111111 0.1453 42 HD23 -0.6041 -5.5016 1.0198 H 1 UNL1111111111 0.1446 43 H 0.8560 -1.5438 1.0820 H 1 UNL1111111111 0.3358 44 H -4.0725 4.5550 -0.7624 H 1 UNL1111111111 0.1354 45 H -3.6472 3.5934 -2.1820 H 1 UNL1111111111 0.1323 46 H -5.2156 -1.1919 1.2197 H 1 UNL1111111111 0.1214 47 H -2.1594 5.6034 -2.0391 H 1 UNL1111111111 0.1392 48 H -1.1897 4.1439 -1.8146 H 1 UNL1111111111 0.1484 49 H -1.6263 5.1350 -0.4214 H 1 UNL1111111111 0.1436 50 H 3.1010 0.7122 -1.8392 H 1 UNL1111111111 0.1477 51 H 2.6100 1.9356 -0.6158 H 1 UNL1111111111 0.1490 52 H 3.9831 2.2630 1.4424 H 1 UNL1111111111 0.1578 53 H 5.1945 -0.5948 -1.5434 H 1 UNL1111111111 0.1545 54 H 6.2647 2.1954 2.4248 H 1 UNL1111111111 0.1510 55 H 7.4728 -0.6522 -0.5594 H 1 UNL1111111111 0.1499 56 H 8.0125 0.7635 1.4037 H 1 UNL1111111111 0.1489 @BOND 1 1 12 2 2 2 18 1 3 2 20 1 4 3 17 2 5 4 18 2 6 5 10 1 7 5 12 am 8 5 34 1 9 6 8 1 10 6 18 am 11 6 43 1 12 7 8 1 13 7 9 1 14 7 27 1 15 7 28 1 16 8 12 1 17 8 29 1 18 9 14 1 19 9 15 1 20 9 30 1 21 10 11 1 22 10 17 1 23 10 31 1 24 11 13 1 25 11 32 1 26 11 33 1 27 13 16 1 28 13 35 1 29 13 36 1 30 14 37 1 31 14 38 1 32 14 39 1 33 15 40 1 34 15 41 1 35 15 42 1 36 16 19 1 37 16 44 1 38 16 45 1 39 17 46 1 40 19 47 1 41 19 48 1 42 19 49 1 43 20 21 1 44 20 50 1 45 20 51 1 46 21 22 ar 47 21 23 ar 48 22 24 ar 49 22 52 1 50 23 25 ar 51 23 53 1 52 24 26 ar 53 24 54 1 54 25 26 ar 55 25 55 1 56 26 56 1