@MOLECULE n~3~-[(2r)-4-({[(2-amino-3-oxo-2-propen-1-yl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethylbutanoyl]-n-(2-sulfanylethyl)-beta-alaninamide 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 C1 5.3982 2.3750 -1.0896 C.2 1 <1> -0.2729 2 N1 5.3541 3.4881 -1.9938 N.pl3 1 <1> -0.5659 3 C2 5.5978 1.1804 -1.6442 C.1 1 <1> 0.5357 4 O1 5.7990 0.1403 -2.1081 O.2 1 <1> -0.2518 5 C3 5.1406 2.5151 0.3725 C.3 1 <1> 0.0168 6 O2 3.7501 2.1536 0.5563 O.3 1 <1> -0.2804 7 P1 3.3198 0.9803 1.5636 P.3 1 <1> 0.3013 8 O3 1.9205 1.5388 2.0836 O.3 1 <1> -0.3041 9 O4 4.2070 0.5991 2.6488 O.2 1 <1> -0.2449 10 O5 2.9788 -0.1054 0.4329 O.3 1 <1> -0.2885 11 C4 1.7925 -1.7900 -0.6442 C.3 1 <1> 0.0404 12 C5 2.1534 -1.2497 0.7631 C.3 1 <1> -0.0381 13 C6 1.0871 -0.7163 -1.4758 C.3 1 <1> -0.4658 14 C7 3.0729 -2.2506 -1.3454 C.3 1 <1> -0.4496 15 C8 0.8601 -3.0228 -0.4919 C.3 1 <1> 0.0359 16 O6 1.4645 -4.0002 0.3152 O.3 1 <1> -0.5251 17 C9 -0.4807 -2.6529 0.1547 C.2 1 <1> 0.5294 18 O7 -0.5807 -2.5661 1.3633 O.2 1 <1> -0.5320 19 N2 -1.5564 -2.4508 -0.6775 N.am 1 <1> -0.6014 20 C10 -2.8667 -2.1250 -0.1059 C.3 1 <1> -0.0459 21 C11 -3.5248 -0.9817 -0.9002 C.3 1 <1> -0.3952 22 C12 -4.6829 -0.4448 -0.0900 C.2 1 <1> 0.5818 23 O8 -4.7800 -0.5861 1.1112 O.2 1 <1> -0.5166 24 N3 -5.6511 0.2563 -0.7813 N.am 1 <1> -0.6245 25 C13 -6.7383 0.8700 0.0044 C.3 1 <1> -0.0448 26 C14 -7.7507 1.5326 -0.9310 C.3 1 <1> -0.3584 27 S1 -8.8777 2.5633 0.0911 S.3 1 <1> -0.1527 28 H1 4.4351 3.9106 -2.0112 H 1 <1> 0.2574 29 H2 6.0387 4.1871 -1.7436 H 1 <1> 0.2531 30 H3 5.1539 3.5847 0.6885 H 1 <1> 0.1406 31 H4 5.8884 1.9721 0.9887 H 1 <1> 0.1482 32 H5 1.3604 1.8470 1.2812 H 1 <1> 0.3066 33 H6 1.2409 -1.0026 1.3431 H 1 <1> 0.1504 34 H7 2.7578 -1.9927 1.3244 H 1 <1> 0.1416 35 H8 0.2188 -0.2959 -0.9567 H 1 <1> 0.1491 36 H9 1.7697 0.1219 -1.6810 H 1 <1> 0.1721 37 H10 0.7597 -1.1009 -2.4456 H 1 <1> 0.1346 38 H11 3.5440 -3.0816 -0.8011 H 1 <1> 0.1636 39 H12 2.8846 -2.5885 -2.3678 H 1 <1> 0.1375 40 H13 3.8105 -1.4373 -1.3978 H 1 <1> 0.1648 41 H14 0.7373 -3.5440 -1.4673 H 1 <1> 0.1521 42 H15 1.3435 -3.7811 1.2740 H 1 <1> 0.3388 43 H16 -1.4974 -2.5632 -1.6722 H 1 <1> 0.3068 44 H17 -3.5174 -3.0284 -0.1040 H 1 <1> 0.1446 45 H18 -2.7475 -1.8268 0.9732 H 1 <1> 0.2058 46 H19 -2.7915 -0.1631 -1.0669 H 1 <1> 0.1799 47 H20 -3.8426 -1.3275 -1.8998 H 1 <1> 0.1573 48 H21 -5.6129 0.4269 -1.7651 H 1 <1> 0.3076 49 H22 -7.2182 0.0762 0.6311 H 1 <1> 0.1685 50 H23 -6.2884 1.5971 0.7269 H 1 <1> 0.1628 51 H24 -7.2466 2.1714 -1.6787 H 1 <1> 0.1581 52 H25 -8.3229 0.7687 -1.4880 H 1 <1> 0.1611 53 H26 -9.8015 2.8585 -0.8306 H 1 <1> 0.1546 @BOND 1 1 2 1 2 1 3 2 3 1 5 1 4 2 28 1 5 2 29 1 6 3 4 2 7 5 6 1 8 5 30 1 9 5 31 1 10 6 7 1 11 7 8 1 12 7 9 2 13 7 10 1 14 8 32 1 15 10 12 1 16 11 12 1 17 11 13 1 18 11 14 1 19 11 15 1 20 12 33 1 21 12 34 1 22 13 35 1 23 13 36 1 24 13 37 1 25 14 38 1 26 14 39 1 27 14 40 1 28 15 16 1 29 15 17 1 30 15 41 1 31 16 42 1 32 17 18 2 33 17 19 am 34 19 20 1 35 19 43 1 36 20 21 1 37 20 44 1 38 20 45 1 39 21 22 1 40 21 46 1 41 21 47 1 42 22 23 2 43 22 24 am 44 24 25 1 45 24 48 1 46 25 26 1 47 25 49 1 48 25 50 1 49 26 27 1 50 26 51 1 51 26 52 1 52 27 53 1