@MOLECULE 4-azido-2-nitrophenyl (6r)-5-acetamido-3,5-dideoxy-2-thio-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid 33 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.5505 -2.3813 0.4421 S.3 1 UNL1 0.3895 2 O -0.8476 -0.2373 -0.2394 O.2 1 UNL1 -0.1559 3 O -4.4543 -1.5786 1.2688 O.2 1 UNL1 -0.3291 4 O -1.5767 2.8999 -0.2740 O.2 1 UNL1 -0.3149 5 O -1.3394 1.7061 -3.3863 O.2 1 UNL1 -0.1431 6 O 0.6639 3.3996 2.8667 O.2 1 UNL1 -0.2872 7 O 1.4493 1.6305 1.5579 O.2 1 UNL1 -0.3825 8 O -3.1128 -2.8208 -3.2252 O.2 2 UNL2 -0.4026 9 O -5.6464 0.9898 1.9333 O.2 1 UNL1 -0.3933 10 O 4.8688 -2.4827 1.2009 O.2 1 UNL1 -0.3511 11 O 2.9608 -3.4746 1.0155 O.2 1 UNL1 -0.3910 12 N -4.2087 1.0536 0.1351 N.am 1 UNL1 -0.4019 13 N 3.7014 -2.5156 0.8649 N.pl3 1 UNL1 0.6452 14 N 4.5940 1.9515 -1.1267 N.2 1 UNL1 -0.3623 15 N 5.8254 1.8951 -0.8630 N.2 1 UNL1 0.4230 16 N 6.9362 2.0659 -0.7357 N.2 1 UNL1 -0.1013 17 C -3.2266 0.2151 0.2639 C.2 1 UNL1 0.0878 18 C -1.9427 0.5497 -0.2557 C.3 1 UNL1 0.0025 19 C -3.3818 -1.1764 0.9115 C.2 1 UNL1 0.4057 20 C -2.1153 -1.7994 0.9016 C.2 1 UNL1 -0.1687 21 C -0.9427 -1.4629 0.4097 C.2 1 UNL1 0.0564 22 C -1.6114 1.8537 -0.8800 C.2 1 UNL1 0.3467 23 C -1.1874 1.7321 -2.2439 C.2 1 UNL1 0.2066 24 C 1.0480 2.5179 2.2091 C.1 1 UNL1 0.6684 25 C -2.7642 -2.1663 -2.3638 C.2 2 UNL2 0.4024 26 C -5.4961 0.9217 0.7215 C.2 1 UNL1 0.2329 27 C 1.7429 -1.1853 -0.0089 C.ar 1 UNL1 -0.0712 28 C -6.6069 0.8741 -0.1958 C.3 1 UNL1 0.3573 29 C 3.1435 -1.3361 0.2330 C.ar 1 UNL1 -0.1273 30 C 1.5225 0.0196 -0.6277 C.ar 1 UNL1 -0.0298 31 C 3.9695 -0.3041 -0.1517 C.ar 1 UNL1 0.0116 32 C 2.3637 0.9493 -0.9542 C.ar 1 UNL1 0.0400 33 C 3.7383 0.9212 -0.7573 C.ar 1 UNL1 0.1372 @BOND 1 5 23 2 2 8 25 2 3 23 22 1 4 14 15 2 5 14 33 1 6 32 33 ar 7 32 30 ar 8 22 4 2 9 22 18 1 10 15 16 2 11 33 31 ar 12 30 27 ar 13 18 2 1 14 18 17 1 15 2 21 1 16 28 26 1 17 31 29 ar 18 27 29 ar 19 27 1 1 20 12 17 2 21 12 26 1 22 29 13 1 23 17 19 1 24 21 1 1 25 21 20 2 26 26 9 2 27 13 11 2 28 13 10 2 29 20 19 1 30 19 3 2 31 7 24 2 32 24 6 2