@MOLECULE n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-phenylalanyl-n-{(1r)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-1-ium-5-yl)-l-alaninamide 46 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9240 -2.0614 0.7261 O.2 1 UNL1 -0.1921 2 C -4.1197 -2.3620 0.2569 C.2 1 UNL1 0.4152 3 O -4.4098 -3.7197 0.0729 O.2 1 UNL1 -0.0726 4 C -3.3859 -4.4975 -0.1653 C.2 1 UNL1 -0.0368 5 C -0.8462 -4.0698 -0.4594 C.1 1 UNL1 0.0566 6 C -2.0561 -4.6941 -0.3927 C.2 1 UNL1 -0.2757 7 C -2.9132 -5.8529 -0.4457 C.3 1 UNL1 0.3310 8 N -5.1253 -1.5704 -0.0357 N.2 1 UNL1 -0.4468 9 C -4.9761 -0.1898 0.1037 C.2 1 UNL1 0.1663 10 C -3.7002 0.3058 0.4982 C.3 1 UNL1 0.1865 11 O -3.2611 1.6208 0.4319 O.3 1 UNL1 -0.0556 12 C -6.0001 0.6482 -0.1584 C.1 1 UNL1 -0.0119 13 C -7.1725 1.2589 -0.4471 C.2 1 UNL1 0.0289 14 C -8.3724 0.6080 -0.8267 C.2 1 UNL1 0.0397 15 C -7.3881 2.6568 -0.4126 C.2 1 UNL1 0.0175 16 C -9.5047 1.2235 -1.1049 C.2 1 UNL1 -0.0368 17 C -8.5308 3.2489 -0.6973 C.2 1 UNL1 -0.0331 18 C -9.6173 2.5548 -1.0495 C.3 1 UNL1 0.0457 19 N -2.6961 -0.5384 0.8789 N.4 1 UNL1 -0.1118 20 C -1.5644 0.1879 1.0328 C.ar 1 UNL1 -0.0470 21 C -0.2045 -0.2813 1.3376 C.ar 1 UNL1 0.5416 22 O 0.1150 -1.2034 2.0207 O.2 1 UNL1 -0.2319 23 C -1.9013 1.5470 0.6929 C.ar 1 UNL1 0.0905 24 C -0.9077 2.4618 0.4572 C.ar 1 UNL1 0.0728 25 N -0.7752 3.7852 0.0264 N.ar 1 UNL1 -0.3744 26 C 0.4860 1.8429 0.4220 C.ar 1 UNL1 0.2378 27 C 0.5065 3.8941 -0.2703 C.ar 1 UNL1 0.4386 28 N 1.3289 2.7886 -0.0761 N.ar 1 UNL1 -0.2181 29 N 0.7990 0.5485 0.6813 N.ar 1 UNL1 -0.3240 30 C 1.9420 -0.0612 0.0550 C.3 1 UNL1 0.2153 31 C 1.7147 -1.3675 -0.2568 C.1 1 UNL1 -0.0529 32 C 1.1143 -2.4428 -0.4117 C.1 1 UNL1 0.0619 33 C 5.1908 0.7646 1.5937 C.3 1 UNL1 0.6009 34 C 0.1869 -3.4081 -0.4820 C.1 1 UNL1 -0.0577 35 P 3.3595 1.0538 -0.2391 P.3 1 UNL1 0.1437 36 O 2.7199 2.4743 -0.4207 O.3 1 UNL1 -0.0131 37 O 3.9628 1.0305 1.3056 O.3 1 UNL1 -0.4881 38 C 4.5312 0.6217 -1.1591 C.2 1 UNL1 -0.4224 39 C 5.7772 0.4148 -0.7472 C.2 1 UNL1 0.6107 40 O 6.0930 0.4624 0.6028 O.2 1 UNL1 -0.6046 41 N 6.9472 0.1837 -1.4701 N.pl3 1 UNL1 -0.3576 42 C 8.0394 -0.2072 -1.0760 C.3 1 UNL1 0.4294 43 C 9.2474 -0.6249 -0.8235 C.3 1 UNL1 -0.4388 44 C 10.5232 -0.1891 -0.2871 C.2 1 UNL1 -0.7631 45 C 10.2952 -1.5893 -0.7102 C.3 1 UNL1 0.4915 46 C 11.3269 0.6796 0.2318 C.2 1 UNL1 0.4446 @BOND 1 41 42 1 2 41 39 1 3 38 39 2 4 38 35 1 5 16 18 1 6 16 14 2 7 42 43 1 8 18 17 1 9 14 13 1 10 43 45 1 11 43 44 1 12 39 40 1 13 45 44 1 14 17 15 2 15 34 5 3 16 34 32 1 17 5 6 1 18 13 15 1 19 13 12 2 20 7 6 1 21 7 4 1 22 36 35 1 23 36 28 1 24 32 31 3 25 6 4 2 26 44 46 2 27 27 28 ar 28 27 25 ar 29 31 30 1 30 35 30 1 31 35 37 1 32 4 3 1 33 12 9 2 34 28 26 ar 35 8 9 1 36 8 2 2 37 25 24 ar 38 30 29 1 39 3 2 1 40 9 10 1 41 2 1 1 42 26 24 ar 43 26 29 ar 44 11 10 1 45 11 23 1 46 24 23 ar 47 10 19 1 48 40 33 1 49 29 21 ar 50 23 20 ar 51 1 19 1 52 19 20 1 53 20 21 ar 54 37 33 1 55 21 22 2