@MOLECULE n~3~-[(2r)-2-hydroxy-4-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-n-(2-sulfanylethyl)-beta-alaninamide 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6449 -0.5167 -1.3353 O.3 1 UNL1111111111 -0.3491 2 P -5.0322 -1.8627 -0.7604 P.3 1 UNL1111111111 0.3686 3 O -5.9999 -2.9354 -0.6693 O.2 1 UNL1111111111 -0.1985 4 O -3.7073 -2.0869 -1.6339 O.3 1 UNL1111111111 -0.4316 5 O -4.4673 -1.5547 0.6928 O.3 1 UNL1111111111 -0.1083 6 P -3.2681 -0.8364 1.4676 P.3 1 UNL1111111111 0.3539 7 O -3.7140 -0.5527 2.8147 O.2 1 UNL1111111111 -0.1727 8 O -2.0180 -1.8123 1.4291 O.3 1 UNL1111111111 -0.3405 9 O -2.9466 0.3275 0.4192 O.3 1 UNL1111111111 -0.3216 10 C -1.9959 1.3716 0.7020 C.3 1 UNL1111111111 -0.0281 11 C -1.6145 1.8761 -0.7147 C.3 1 UNL1111111111 0.0340 12 C -0.9540 0.7566 -1.5211 C.3 1 UNL1111111111 -0.4687 13 C -2.8685 2.3807 -1.4359 C.3 1 UNL1111111111 -0.4392 14 C -0.6349 3.0744 -0.5831 C.3 1 UNL1111111111 0.0284 15 O -1.2225 4.1010 0.1749 O.3 1 UNL1111111111 -0.5244 16 C 0.6742 2.6673 0.1053 C.2 1 UNL1111111111 0.5297 17 O 0.7239 2.5311 1.3123 O.2 1 UNL1111111111 -0.5328 18 N 1.7802 2.4969 -0.6920 N.am 1 UNL1111111111 -0.5975 19 C 3.0603 2.0942 -0.1032 C.3 1 UNL1111111111 -0.0402 20 C 3.4656 0.7015 -0.6257 C.3 1 UNL1111111111 -0.4000 21 C 4.7366 0.2736 0.0686 C.2 1 UNL1111111111 0.5889 22 O 5.2593 0.9129 0.9568 O.2 1 UNL1111111111 -0.5191 23 N 5.2760 -0.9249 -0.3573 N.am 1 UNL1111111111 -0.6216 24 C 6.5022 -1.4484 0.2589 C.3 1 UNL1111111111 -0.0501 25 C 7.6319 -1.5027 -0.7790 C.3 1 UNL1111111111 -0.3551 26 S 9.0912 -2.3304 -0.0323 S.3 1 UNL1111111111 -0.1694 27 H -4.9796 0.2519 -1.1763 H 1 UNL1111111111 0.3249 28 H -3.9401 -2.5777 -2.4919 H 1 UNL1111111111 0.3183 29 H -1.8374 -2.0942 0.4594 H 1 UNL1111111111 0.3198 30 H -2.5116 2.1675 1.2781 H 1 UNL1111111111 0.1342 31 H -1.0971 1.0401 1.2596 H 1 UNL1111111111 0.1486 32 H -1.6813 -0.0453 -1.7301 H 1 UNL1111111111 0.1803 33 H -0.5811 1.1073 -2.4862 H 1 UNL1111111111 0.1312 34 H -0.1251 0.2928 -0.9754 H 1 UNL1111111111 0.1476 35 H -3.3087 3.2370 -0.9052 H 1 UNL1111111111 0.1628 36 H -2.6512 2.7028 -2.4585 H 1 UNL1111111111 0.1355 37 H -3.6360 1.5996 -1.4927 H 1 UNL1111111111 0.1529 38 H -0.4683 3.5589 -1.5709 H 1 UNL1111111111 0.1521 39 H -1.1324 3.9125 1.1417 H 1 UNL1111111111 0.3372 40 H 1.7501 2.6198 -1.6869 H 1 UNL1111111111 0.3069 41 H 3.8429 2.8474 -0.3467 H 1 UNL1111111111 0.1518 42 H 2.9839 2.0798 1.0169 H 1 UNL1111111111 0.1984 43 H 2.6567 -0.0291 -0.4152 H 1 UNL1111111111 0.1794 44 H 3.5976 0.7169 -1.7227 H 1 UNL1111111111 0.1602 45 H 4.8793 -1.4560 -1.1086 H 1 UNL1111111111 0.3061 46 H 6.7895 -0.7980 1.1283 H 1 UNL1111111111 0.1886 47 H 6.2783 -2.4579 0.6756 H 1 UNL1111111111 0.1466 48 H 7.3212 -2.0679 -1.6757 H 1 UNL1111111111 0.1573 49 H 7.8829 -0.4822 -1.1194 H 1 UNL1111111111 0.1652 50 H 10.0712 -1.6414 -0.6299 H 1 UNL1111111111 0.1590 @BOND 1 1 2 1 2 1 27 1 3 2 4 1 4 2 5 1 5 3 2 2 6 4 28 1 7 5 6 1 8 6 8 1 9 6 9 1 10 7 6 2 11 8 29 1 12 9 10 1 13 10 11 1 14 10 30 1 15 10 31 1 16 11 13 1 17 11 14 1 18 11 12 1 19 12 32 1 20 12 33 1 21 12 34 1 22 13 35 1 23 13 36 1 24 13 37 1 25 14 16 1 26 14 38 1 27 15 14 1 28 15 39 1 29 16 17 2 30 16 18 am 31 18 19 1 32 18 40 1 33 19 20 1 34 19 41 1 35 19 42 1 36 20 43 1 37 20 44 1 38 21 20 1 39 21 22 2 40 23 21 am 41 23 45 1 42 24 23 1 43 24 46 1 44 24 47 1 45 25 24 1 46 25 48 1 47 25 49 1 48 26 25 1 49 26 50 1