@MOLECULE ethyl {1-[(3r)-3-({2-fluoro-4-[(z)-imino(1,3-thiazolidin-3-yl)methyl]benzoyl}amino)-2,2-dimethylpentanoyl]-4-piperidinyl}acetate 76 78 0 0 0 SMALL USER_CHARGES @ATOM 1 S 7.2967 1.7379 1.5991 S.3 1 UNL11 0.0020 2 F 3.2901 -2.8723 -1.0617 F 1 UNL11 -0.1576 3 O -1.4319 -1.2250 0.3862 O.2 1 UNL11 -0.5614 4 O -4.7991 4.5263 -0.7127 O.3 1 UNL11 -0.4349 5 O -5.6108 3.6766 1.1990 O.2 1 UNL11 -0.5175 6 O 1.0378 -3.1512 1.5483 O.2 1 UNL11 -0.5188 7 N -3.5404 -1.4277 1.1459 N.am 1 UNL11 -0.4857 8 N 0.0418 -3.0267 -0.4958 N.am 1 UNL11 -0.5771 9 N 5.5348 1.8857 -0.3977 N.pl3 1 UNL11 -0.5059 10 N 3.8365 2.6647 -1.9245 N.2 1 UNL11 -0.5989 11 C -4.8998 1.0452 0.3189 C.3 1 UNL11 -0.0750 12 C -2.4597 -3.3074 -0.2227 C.3 1 UNL11 -0.0340 13 C -3.4930 1.0665 0.9363 C.3 1 UNL11 -0.3212 14 C -5.1330 -0.2897 -0.4075 C.3 1 UNL11 -0.3267 15 C -3.3053 -0.1498 1.8584 C.3 1 UNL11 -0.0723 16 C -4.8896 -1.4658 0.5609 C.3 1 UNL11 -0.0758 17 C -1.0253 -3.9574 -0.1227 C.3 1 UNL11 0.0860 18 C -2.4368 -1.9091 0.4177 C.2 1 UNL11 0.5723 19 C -5.0735 2.2107 -0.6674 C.3 1 UNL11 -0.3738 20 C -3.4116 -4.2486 0.5221 C.3 1 UNL11 -0.4593 21 C -2.8854 -3.1068 -1.6789 C.3 1 UNL11 -0.4587 22 C -0.8981 -5.2068 -1.0298 C.3 1 UNL11 -0.2703 23 C -5.2047 3.5044 0.0782 C.2 1 UNL11 0.6087 24 C 0.2410 -6.1001 -0.5415 C.3 1 UNL11 -0.4348 25 C 0.9370 -2.6017 0.4722 C.2 1 UNL11 0.6131 26 C 1.7974 -1.4590 0.0558 C.ar 1 UNL11 -0.1818 27 C -4.8772 5.8426 -0.1423 C.3 1 UNL11 0.0085 28 C 2.9605 -1.6473 -0.6886 C.ar 1 UNL11 0.2234 29 C 1.4368 -0.1681 0.4370 C.ar 1 UNL11 -0.0500 30 C 3.4105 0.6932 -0.6511 C.ar 1 UNL11 0.0183 31 C 3.7861 -0.5874 -1.0564 C.ar 1 UNL11 -0.2213 32 C 2.2433 0.9117 0.0812 C.ar 1 UNL11 -0.1731 33 C -4.2682 6.7425 -1.2046 C.3 1 UNL11 -0.4628 34 C 4.2657 1.8577 -1.0232 C.2 1 UNL11 0.3831 35 C 6.3345 3.1259 -0.5036 C.3 1 UNL11 -0.0794 36 C 5.6771 1.2051 0.8944 C.3 1 UNL11 -0.1332 37 C 7.6538 2.9171 0.2386 C.3 1 UNL11 -0.3406 38 H 4.3524 3.4641 -2.2318 H 1 UNL11 0.2715 39 H -0.1219 -2.4508 -1.3085 H 1 UNL11 0.3115 40 H -5.6556 1.1509 1.1393 H 1 UNL11 0.1588 41 H -3.3390 2.0005 1.5081 H 1 UNL11 0.1537 42 H -2.7154 1.0544 0.1470 H 1 UNL11 0.1632 43 H -4.4597 -0.3702 -1.2807 H 1 UNL11 0.1482 44 H -6.1628 -0.3416 -0.8031 H 1 UNL11 0.1441 45 H -2.2780 -0.1549 2.2905 H 1 UNL11 0.1633 46 H -4.0143 -0.1102 2.7147 H 1 UNL11 0.1413 47 H -5.6220 -1.4280 1.4015 H 1 UNL11 0.1499 48 H -5.0645 -2.4303 0.0402 H 1 UNL11 0.1404 49 H -0.8734 -4.2658 0.9525 H 1 UNL11 0.1786 50 H -5.9804 2.0666 -1.2933 H 1 UNL11 0.1775 51 H -4.2266 2.2525 -1.3859 H 1 UNL11 0.1840 52 H -3.3413 -4.1059 1.6105 H 1 UNL11 0.1685 53 H -3.1880 -5.3043 0.3215 H 1 UNL11 0.1584 54 H -4.4596 -4.0987 0.2417 H 1 UNL11 0.1478 55 H -2.1524 -2.5107 -2.2374 H 1 UNL11 0.1565 56 H -3.8496 -2.5929 -1.7613 H 1 UNL11 0.1463 57 H -2.9934 -4.0664 -2.2002 H 1 UNL11 0.1618 58 H -0.7085 -4.8969 -2.0752 H 1 UNL11 0.1433 59 H -1.8432 -5.7773 -1.0446 H 1 UNL11 0.1329 60 H 1.1792 -5.5316 -0.4565 H 1 UNL11 0.1657 61 H 0.4218 -6.9316 -1.2291 H 1 UNL11 0.1366 62 H 0.0333 -6.5207 0.4486 H 1 UNL11 0.1440 63 H -4.3120 5.8513 0.8067 H 1 UNL11 0.1356 64 H -5.9387 6.0679 0.0600 H 1 UNL11 0.1313 65 H 0.5148 -0.0087 1.0068 H 1 UNL11 0.1859 66 H 4.6895 -0.7439 -1.6457 H 1 UNL11 0.1868 67 H 1.9524 1.9253 0.3558 H 1 UNL11 0.1710 68 H -3.2288 6.4590 -1.4195 H 1 UNL11 0.1614 69 H -4.2742 7.7904 -0.8845 H 1 UNL11 0.1540 70 H -4.8196 6.6736 -2.1518 H 1 UNL11 0.1591 71 H 5.7821 4.0047 -0.0986 H 1 UNL11 0.1341 72 H 6.5264 3.3210 -1.5849 H 1 UNL11 0.1516 73 H 4.8640 1.4480 1.6099 H 1 UNL11 0.1526 74 H 5.6831 0.1033 0.7296 H 1 UNL11 0.1764 75 H 8.4320 2.4939 -0.4225 H 1 UNL11 0.1714 76 H 8.0524 3.8577 0.6532 H 1 UNL11 0.1670 @BOND 1 55 21 1 2 38 10 1 3 57 21 1 4 70 33 1 5 58 22 1 6 10 34 2 7 56 21 1 8 21 12 1 9 66 31 1 10 72 35 1 11 68 33 1 12 51 19 1 13 39 8 1 14 50 19 1 15 43 14 1 16 61 24 1 17 33 69 1 18 33 27 1 19 2 28 1 20 31 28 ar 21 31 30 ar 22 59 22 1 23 22 24 1 24 22 17 1 25 34 30 1 26 34 9 1 27 44 14 1 28 4 27 1 29 4 23 1 30 28 26 ar 31 19 23 1 32 19 11 1 33 30 32 ar 34 24 60 1 35 24 62 1 36 35 9 1 37 35 71 1 38 35 37 1 39 8 17 1 40 8 25 am 41 75 37 1 42 14 11 1 43 14 16 1 44 9 36 1 45 12 17 1 46 12 18 1 47 12 20 1 48 27 64 1 49 27 63 1 50 17 49 1 51 48 16 1 52 26 29 ar 53 26 25 1 54 23 5 2 55 32 67 1 56 32 29 ar 57 42 13 1 58 37 76 1 59 37 1 1 60 54 20 1 61 11 13 1 62 11 40 1 63 53 20 1 64 3 18 2 65 18 7 am 66 29 65 1 67 25 6 2 68 20 52 1 69 16 7 1 70 16 47 1 71 74 36 1 72 36 1 1 73 36 73 1 74 13 41 1 75 13 15 1 76 7 15 1 77 15 45 1 78 15 46 1