@MOLECULE (2r,3r,4r)-6-cyclohexyl-3,4-dihydroxy-5-{[3-(1h-imidazol-4-yl)-2-{[(1-naphthyloxy)acetyl]amino}propanoyl]amino}-2-isopropyl-n-{(2s,3r)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}hexanamide 59 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.3938 -0.2434 0.2881 C.2 1 UNL1 0.3675 2 C -5.7091 0.3531 0.8160 C.3 1 UNL1 0.2962 3 C -6.9252 -1.6248 1.5008 C.ar 1 UNL1 0.0438 4 C -6.5440 -2.3267 2.6090 C.ar 1 UNL1 -0.0011 5 C -7.0451 -3.5252 2.8682 C.ar 1 UNL1 -0.0103 6 C -7.9193 -4.1445 2.1170 C.ar 1 UNL1 0.0264 7 C -8.4126 -3.6345 0.9364 C.ar 1 UNL1 0.0065 8 C -9.2979 -4.1286 -0.0036 C.ar 1 UNL1 -0.0016 9 C -9.6904 -3.5050 -1.0888 C.ar 1 UNL1 0.0133 10 C -9.2140 -2.2856 -1.3637 C.ar 1 UNL1 0.0207 11 C -8.3519 -1.7157 -0.5564 C.ar 1 UNL1 -0.0329 12 C -7.8530 -2.2445 0.6163 C.ar 1 UNL1 -0.0211 13 O -4.2294 -1.3958 -0.0136 O.2 1 UNL1 -0.3739 14 O -6.6636 -0.2728 1.2831 O.3 1 UNL1 -0.1441 15 N -3.3535 0.7038 0.2948 N.am 1 UNL1 -0.3359 16 C -2.8312 1.3605 -0.6660 C.2 1 UNL1 0.2186 17 C -1.7519 2.3866 -0.3729 C.2 1 UNL1 0.3956 18 O -1.2963 3.2549 -1.4059 O.2 1 UNL1 -0.2744 19 C -3.1249 1.2825 -2.0593 C.2 1 UNL1 -0.0088 20 C -2.6586 1.9327 -3.0943 C.2 1 UNL1 0.0231 21 N -2.7520 2.0510 -4.5014 N.2 1 UNL1 -0.3862 22 C -1.6169 3.0280 -2.6653 C.2 1 UNL1 0.3583 23 C -1.9201 3.0243 -4.7625 C.2 1 UNL1 0.4244 24 N -1.2020 3.6768 -3.7400 N.2 1 UNL1 -0.4327 25 N -1.2061 2.6088 0.7464 N.2 1 UNL1 -0.2770 26 C -0.1388 3.4795 0.9912 C.2 1 UNL1 0.1013 27 C -0.1823 4.5911 1.7266 C.2 1 UNL1 0.0499 28 C 0.8435 5.4296 2.1498 C.ar 1 UNL1 -0.0919 29 C 2.1503 4.9640 1.6803 C.ar 1 UNL1 0.1753 30 C 0.8756 6.5815 2.9044 C.ar 1 UNL1 0.0483 31 C 3.2475 5.7157 2.0371 C.ar 1 UNL1 -0.0586 32 C 1.9773 7.2422 3.2023 C.ar 1 UNL1 -0.0261 33 C 3.1591 6.8079 2.7664 C.ar 1 UNL1 0.0587 34 C 1.2052 3.1178 0.5771 C.3 1 UNL1 -0.0715 35 O 2.2984 3.8509 0.9093 O.3 1 UNL1 -0.1422 36 C 1.5252 1.9462 -0.2518 C.2 1 UNL1 0.4844 37 C 2.8274 1.3158 -0.1235 C.2 1 UNL1 -0.1582 38 C 3.8334 1.5601 0.9103 C.2 1 UNL1 -0.7242 39 C 3.8940 2.4196 1.9200 C.2 1 UNL1 0.5930 40 C 4.9619 0.6164 0.7039 C.3 1 UNL1 0.3741 41 O 0.6656 1.5075 -0.9899 O.2 1 UNL1 -0.4152 42 C 3.3013 0.3102 -0.9183 C.2 1 UNL1 0.2522 43 O 2.7804 -0.2846 -2.0296 O.2 1 UNL1 -0.1902 44 N 4.5772 -0.1218 -0.4328 N.pl3 1 UNL1 -0.3886 45 C 5.2198 -1.1720 -1.0408 C.3 1 UNL1 0.0407 46 C 6.5095 -1.6643 -0.4657 C.2 1 UNL1 0.5726 47 O 7.6069 -1.3283 -0.7933 O.2 1 UNL1 -0.3113 48 C 4.6341 -1.8022 -2.1597 C.2 1 UNL1 -0.0928 49 C 5.1715 -2.8685 -2.7633 C.1 1 UNL1 -0.5096 50 C 3.3321 -1.2524 -2.6656 C.2 1 UNL1 0.3722 51 C 5.6435 -3.8951 -3.3892 C.1 1 UNL1 0.3693 52 N 6.2971 -2.5615 0.6125 N.am 1 UNL1 -0.3147 53 C 5.9785 -3.7075 0.7867 C.3 1 UNL1 0.2005 54 C 5.5752 -4.9730 1.0907 C.3 1 UNL1 0.0957 55 C 6.3703 -6.0880 1.3532 C.2 1 UNL1 -0.0643 56 C 5.8690 -7.2734 1.6369 C.2 1 UNL1 0.0323 57 C 4.5560 -7.4707 1.6906 C.3 1 UNL1 -0.0371 58 C 3.7773 -6.3859 1.4340 C.2 1 UNL1 0.1691 59 N 4.1515 -5.1873 1.1440 N.2 1 UNL1 -0.2876 @BOND 1 23 21 2 2 23 24 1 3 21 20 1 4 24 22 2 5 51 49 3 6 20 22 1 7 20 19 2 8 49 48 1 9 50 48 2 10 50 43 1 11 22 18 1 12 48 45 1 13 19 16 1 14 43 42 1 15 18 17 1 16 10 9 ar 17 10 11 ar 18 9 8 ar 19 45 46 1 20 45 44 1 21 41 36 2 22 42 44 1 23 42 37 2 24 47 46 2 25 16 17 1 26 16 15 2 27 11 12 ar 28 46 52 am 29 44 40 1 30 17 25 2 31 36 37 1 32 36 34 1 33 37 38 1 34 13 1 2 35 8 7 ar 36 1 15 1 37 1 2 1 38 34 35 1 39 34 26 1 40 52 53 1 41 12 7 ar 42 12 3 ar 43 40 38 1 44 25 26 1 45 53 54 1 46 2 14 1 47 35 29 1 48 38 39 2 49 7 6 ar 50 26 27 2 51 54 59 1 52 54 55 1 53 59 58 2 54 14 3 1 55 55 56 2 56 58 57 1 57 3 4 ar 58 56 57 1 59 29 31 ar 60 29 28 ar 61 27 28 1 62 31 33 ar 63 6 5 ar 64 28 30 ar 65 4 5 ar 66 33 32 ar 67 30 32 ar