@MOLECULE methyl 2-(n-{[5-amino-2-(4-fluorophenyl)-6-oxo-1(6h)-pyrimidinyl]acetyl}-l-phenylalanyl)-1,3-benzoxazole-5-carboxylate 66 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 5.2062 -3.8187 -1.2592 F 1 UNL1 -0.1780 2 O -3.5863 1.2601 2.1003 O.2 1 UNL1 -0.1749 3 O -1.1876 0.9108 3.4056 O.2 1 UNL1 -0.3470 4 O 1.3574 0.5866 -0.2883 O.2 1 UNL1 -0.5131 5 O 2.6734 3.9801 1.1362 O.2 1 UNL1 -0.5167 6 O -7.0929 -0.9704 -2.4701 O.3 1 UNL1 -0.4056 7 O -8.6306 0.4714 -1.6902 O.2 1 UNL1 -0.4927 8 N 1.0440 0.2047 1.9199 N.am 1 UNL1 -0.5897 9 N 3.5559 2.1696 0.0903 N.ar 1 UNL1 -0.4288 10 N -3.0427 -0.4097 0.6467 N.ar 1 UNL1 -0.3274 11 N 4.3850 2.3349 -2.1292 N.ar 1 UNL1 -0.3985 12 N 3.3751 5.6998 -0.9612 N.pl3 1 UNL1 -0.5742 13 C -0.2233 -0.4721 1.6816 C.3 1 UNL1 0.0277 14 C -0.2324 -1.8931 2.2854 C.3 1 UNL1 -0.3109 15 C -1.3362 0.3307 2.3665 C.2 1 UNL1 0.4116 16 C 0.6194 -2.8094 1.4604 C.ar 1 UNL1 0.0180 17 C 3.1117 1.3233 1.1959 C.3 1 UNL1 -0.1687 18 C 1.7622 0.6923 0.8479 C.2 1 UNL1 0.5751 19 C -2.6362 0.3272 1.6532 C.ar 1 UNL1 0.1460 20 C 1.8579 -3.2427 1.9344 C.ar 1 UNL1 -0.1741 21 C 0.1640 -3.2345 0.2098 C.ar 1 UNL1 -0.1582 22 C 4.1001 1.6080 -1.0785 C.ar 1 UNL1 0.3545 23 C -4.3480 0.0252 0.3527 C.ar 1 UNL1 -0.0010 24 C -4.6654 1.0695 1.2716 C.ar 1 UNL1 0.1381 25 C 3.2133 3.5358 0.1429 C.ar 1 UNL1 0.5454 26 C 4.3818 0.1579 -1.0981 C.ar 1 UNL1 -0.0939 27 C 2.6283 -4.1161 1.1690 C.ar 1 UNL1 -0.1441 28 C 0.9377 -4.1044 -0.5529 C.ar 1 UNL1 -0.1437 29 C 3.5649 4.3236 -1.0520 C.ar 1 UNL1 0.0071 30 C -5.2716 -0.3630 -0.6129 C.ar 1 UNL1 -0.0205 31 C 2.1658 -4.5546 -0.0698 C.ar 1 UNL1 -0.1598 32 C -5.8775 1.7419 1.2722 C.ar 1 UNL1 -0.2101 33 C -6.4888 0.3143 -0.6175 C.ar 1 UNL1 -0.1847 34 C 4.1200 3.6872 -2.1344 C.ar 1 UNL1 -0.0481 35 C -6.7893 1.3405 0.3036 C.ar 1 UNL1 -0.0409 36 C 5.5856 -0.3158 -0.5717 C.ar 1 UNL1 -0.0808 37 C 3.4555 -0.7095 -1.6834 C.ar 1 UNL1 -0.0406 38 C 5.8722 -1.6766 -0.6154 C.ar 1 UNL1 -0.2405 39 C 3.7269 -2.0737 -1.7386 C.ar 1 UNL1 -0.2348 40 C 4.9331 -2.5236 -1.2042 C.ar 1 UNL1 0.2270 41 C -7.5305 -0.0141 -1.6091 C.2 1 UNL1 0.6025 42 C -8.0108 -1.3531 -3.4903 C.3 1 UNL1 -0.1652 43 H -0.4154 -0.5356 0.5640 H 1 UNL1 0.2198 44 H -1.2755 -2.2805 2.3163 H 1 UNL1 0.1706 45 H 0.1030 -1.8694 3.3418 H 1 UNL1 0.1611 46 H 1.3257 0.3354 2.8786 H 1 UNL1 0.3258 47 H 3.8594 0.5180 1.3954 H 1 UNL1 0.1805 48 H 3.0408 1.9425 2.1292 H 1 UNL1 0.2014 49 H 2.2247 -2.9062 2.9006 H 1 UNL1 0.1476 50 H -0.7962 -2.8837 -0.1700 H 1 UNL1 0.1652 51 H 3.5923 -4.4584 1.5404 H 1 UNL1 0.1499 52 H 0.5816 -4.4367 -1.5260 H 1 UNL1 0.1494 53 H -5.0406 -1.1563 -1.3282 H 1 UNL1 0.1925 54 H 2.7618 -5.2500 -0.6577 H 1 UNL1 0.1548 55 H -6.0973 2.5342 1.9834 H 1 UNL1 0.1874 56 H 4.3910 4.1985 -3.0616 H 1 UNL1 0.1879 57 H -7.7707 1.8286 0.2423 H 1 UNL1 0.1869 58 H 6.3052 0.3809 -0.1395 H 1 UNL1 0.1641 59 H 2.5184 -0.3148 -2.0934 H 1 UNL1 0.1913 60 H 6.8055 -2.0630 -0.2121 H 1 UNL1 0.1750 61 H 3.0101 -2.7639 -2.1814 H 1 UNL1 0.1809 62 H 2.8317 6.0177 -0.1731 H 1 UNL1 0.3049 63 H 3.1959 6.1942 -1.8132 H 1 UNL1 0.2872 64 H -8.9370 -1.7346 -3.0475 H 1 UNL1 0.1419 65 H -8.2230 -0.4998 -4.1431 H 1 UNL1 0.1412 66 H -7.4665 -2.1412 -4.0236 H 1 UNL1 0.1467 @BOND 1 65 42 1 2 66 42 1 3 42 64 1 4 42 6 1 5 56 34 1 6 6 41 1 7 61 39 1 8 34 11 ar 9 34 29 ar 10 11 22 ar 11 59 37 1 12 63 12 1 13 39 37 ar 14 39 40 ar 15 7 41 2 16 37 26 ar 17 41 33 1 18 52 28 1 19 53 30 1 20 1 40 1 21 40 38 ar 22 26 22 1 23 26 36 ar 24 22 9 ar 25 29 12 1 26 29 25 ar 27 12 62 1 28 54 31 1 29 33 30 ar 30 33 35 ar 31 38 36 ar 32 38 60 1 33 30 23 ar 34 36 58 1 35 28 31 ar 36 28 21 ar 37 4 18 2 38 50 21 1 39 31 27 ar 40 9 25 ar 41 9 17 1 42 25 5 2 43 21 16 ar 44 57 35 1 45 35 32 ar 46 23 10 ar 47 23 24 ar 48 43 13 1 49 10 19 ar 50 18 17 1 51 18 8 am 52 27 51 1 53 27 20 ar 54 17 47 1 55 17 48 1 56 24 32 ar 57 24 2 ar 58 32 55 1 59 16 20 ar 60 16 14 1 61 19 2 ar 62 19 15 1 63 13 8 1 64 13 14 1 65 13 15 1 66 8 46 1 67 20 49 1 68 14 44 1 69 14 45 1 70 15 3 2