@MOLECULE n~2~-carbamoyl-n-[(1s,2s)-5-[(diaminomethylene)amino]-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-l-valinamide 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2397 2.5170 -0.5131 C.3 1 UNL1111111111 0.1186 2 C 0.5364 1.2893 0.0802 C.3 1 UNL1111111111 0.0567 3 C -1.5787 2.6783 0.1322 C.ar 1 UNL1111111111 0.0268 4 O -1.6771 -0.0908 1.0178 O.2 1 UNL1111111111 -0.5325 5 N 0.0118 0.0383 -0.4785 N.am 1 UNL1111111111 -0.6181 6 O 0.5208 3.6802 -0.2855 O.3 1 UNL1111111111 -0.5348 7 C 2.0231 1.4327 -0.2894 C.3 1 UNL1111111111 -0.2982 8 C 2.8957 0.3737 0.3881 C.3 1 UNL1111111111 -0.2879 9 C 4.3568 0.6022 -0.0303 C.3 1 UNL1111111111 -0.0798 10 N 5.1899 -0.5096 0.4831 N.pl3 1 UNL1111111111 -0.5453 11 C 6.5439 -0.4775 0.0712 C.cat 1 UNL1111111111 0.5424 12 N 6.9536 0.3802 -0.8055 N.pl3 1 UNL1111111111 -0.6917 13 N 7.3445 -1.4573 0.7156 N.pl3 1 UNL1111111111 -0.6988 14 N -1.7133 3.0413 1.3876 N.ar 1 UNL1111111111 -0.3743 15 C -3.0518 3.1529 1.7650 C.ar 1 UNL1111111111 0.0175 16 C -3.9620 2.8980 0.7754 C.ar 1 UNL1111111111 -0.3365 17 S -3.1353 2.4964 -0.6991 S.2 1 UNL1111111111 0.1863 18 N -1.9686 -2.7108 0.7993 N.am 1 UNL1111111111 -0.6174 19 C -1.3176 -2.0550 -0.3410 C.3 1 UNL1111111111 0.0064 20 C -1.0393 -0.6157 0.1280 C.2 1 UNL1111111111 0.5607 21 C -2.1814 -2.1169 -1.6297 C.3 1 UNL1111111111 -0.0951 22 C -3.5416 -1.4504 -1.4425 C.3 1 UNL1111111111 -0.4536 23 C -1.4315 -1.5012 -2.8122 C.3 1 UNL1111111111 -0.4571 24 C -2.1203 -4.0918 0.7586 C.2 1 UNL1111111111 0.7199 25 N -2.9388 -4.6375 1.7530 N.am 1 UNL1111111111 -0.6985 26 O -1.5810 -4.7931 -0.0790 O.2 1 UNL1111111111 -0.5668 27 H -0.2836 2.4624 -1.6259 H 1 UNL1111111111 0.1617 28 H 0.4008 1.2847 1.1973 H 1 UNL1111111111 0.1784 29 H 0.5423 -0.3886 -1.2235 H 1 UNL1111111111 0.3202 30 H 0.4579 3.9632 0.6592 H 1 UNL1111111111 0.3402 31 H 2.1513 1.3983 -1.3890 H 1 UNL1111111111 0.1512 32 H 2.3739 2.4483 0.0019 H 1 UNL1111111111 0.1765 33 H 2.7878 0.4278 1.4873 H 1 UNL1111111111 0.1442 34 H 2.5772 -0.6478 0.1044 H 1 UNL1111111111 0.1537 35 H 4.4530 0.6195 -1.1428 H 1 UNL1111111111 0.1680 36 H 4.7272 1.5904 0.3224 H 1 UNL1111111111 0.1396 37 H 5.0511 -0.6914 1.4748 H 1 UNL1111111111 0.2900 38 H 7.8836 0.3495 -1.1756 H 1 UNL1111111111 0.2836 39 H 6.8860 -2.2593 1.1091 H 1 UNL1111111111 0.2927 40 H 8.2172 -1.6858 0.2767 H 1 UNL1111111111 0.2913 41 H -3.2556 3.4243 2.7953 H 1 UNL1111111111 0.1820 42 H -5.0329 2.9247 0.8497 H 1 UNL1111111111 0.1890 43 H -2.5548 -2.1151 1.3749 H 1 UNL1111111111 0.3345 44 H -0.3470 -2.5939 -0.5386 H 1 UNL1111111111 0.1745 45 H -2.3462 -3.2091 -1.8459 H 1 UNL1111111111 0.1674 46 H -4.1210 -1.4666 -2.3727 H 1 UNL1111111111 0.1489 47 H -4.1412 -1.9614 -0.6800 H 1 UNL1111111111 0.1482 48 H -3.4468 -0.4049 -1.1285 H 1 UNL1111111111 0.1572 49 H -0.4292 -1.9268 -2.9256 H 1 UNL1111111111 0.1408 50 H -1.9662 -1.6987 -3.7506 H 1 UNL1111111111 0.1532 51 H -1.3456 -0.4122 -2.7252 H 1 UNL1111111111 0.1510 52 H -3.1592 -4.1274 2.5819 H 1 UNL1111111111 0.2995 53 H -2.9221 -5.6366 1.8531 H 1 UNL1111111111 0.3134 @BOND 1 1 2 1 2 1 3 1 3 1 6 1 4 1 27 1 5 2 5 1 6 2 7 1 7 2 28 1 8 3 14 ar 9 3 17 ar 10 4 20 2 11 5 20 am 12 5 29 1 13 6 30 1 14 7 8 1 15 7 31 1 16 7 32 1 17 8 9 1 18 8 33 1 19 8 34 1 20 9 10 1 21 9 35 1 22 9 36 1 23 10 11 1 24 10 37 1 25 11 12 2 26 11 13 1 27 12 38 1 28 13 39 1 29 13 40 1 30 14 15 ar 31 15 16 ar 32 15 41 1 33 16 17 ar 34 16 42 1 35 18 19 1 36 18 24 am 37 18 43 1 38 19 20 1 39 19 21 1 40 19 44 1 41 21 22 1 42 21 23 1 43 21 45 1 44 22 46 1 45 22 47 1 46 22 48 1 47 23 49 1 48 23 50 1 49 23 51 1 50 24 25 am 51 24 26 2 52 25 52 1 53 25 53 1