@MOLECULE 2-{[(5-azido-1-naphthyl)sulfonyl]amino}-2-deoxy-d-galactose 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.4164 2.2707 0.3417 S.O2 1 UNL1 2.3543 2 O 3.5904 -1.9758 -1.1905 O.3 1 UNL1 -0.5930 3 O 0.7821 -2.2317 -2.0391 O.3 1 UNL1 -0.5451 4 O 1.7947 -3.4339 0.1625 O.3 1 UNL1 -0.6036 5 O 2.2398 2.9600 -0.6262 O.2 1 UNL1 -0.9217 6 O 1.1936 2.7944 1.6656 O.2 1 UNL1 -0.8923 7 O -0.6631 -2.3149 2.0291 O.3 1 UNL1 -0.5444 8 O 4.3481 -0.4302 1.6117 O.2 1 UNL1 -0.4568 9 N 2.1198 0.6864 0.5871 N.3 1 UNL1 -0.8685 10 N -4.4615 -0.2036 -0.6658 N.2 1 UNL1 -0.4411 11 N -5.4795 -0.8013 -0.2490 N.2 1 UNL1 0.4370 12 N -6.4683 -1.3384 -0.1158 N.2 1 UNL1 -0.1489 13 C 2.6395 -0.9404 -1.2617 C.3 1 UNL1 0.1005 14 C 1.2119 -1.4397 -0.9608 C.3 1 UNL1 0.0795 15 C 3.1513 0.2214 -0.3448 C.3 1 UNL1 -0.0906 16 C 1.0741 -2.2238 0.3612 C.3 1 UNL1 0.0653 17 C -0.0926 1.8324 -0.4489 C.ar 1 UNL1 -0.4186 18 C -0.3953 -2.5514 0.6637 C.3 1 UNL1 -0.0554 19 C 4.3767 -0.3126 0.4122 C.2 1 UNL1 0.3596 20 C -1.1949 1.2656 0.2528 C.ar 1 UNL1 0.0968 21 C -2.3026 0.8096 -0.5052 C.ar 1 UNL1 -0.0787 22 C -0.1366 1.9918 -1.8156 C.ar 1 UNL1 -0.0264 23 C -1.2369 1.1274 1.6698 C.ar 1 UNL1 -0.2267 24 C -2.3094 0.9591 -1.9178 C.ar 1 UNL1 -0.0477 25 C -1.2521 1.5518 -2.5598 C.ar 1 UNL1 -0.2030 26 C -3.4086 0.2014 0.1815 C.ar 1 UNL1 0.1935 27 C -2.3040 0.5351 2.2935 C.ar 1 UNL1 -0.0743 28 C -3.4045 0.0539 1.5531 C.ar 1 UNL1 -0.2791 29 H 2.6930 -0.6225 -2.3331 H 1 UNL1 0.1538 30 H 0.4878 -0.5874 -0.9815 H 1 UNL1 0.1679 31 H 3.5064 1.0549 -1.0190 H 1 UNL1 0.1833 32 H 1.5474 -1.6786 1.2109 H 1 UNL1 0.1572 33 H 2.3744 0.4753 1.5629 H 1 UNL1 0.3257 34 H -0.6112 -3.6300 0.5382 H 1 UNL1 0.1612 35 H -1.1034 -1.9796 0.0397 H 1 UNL1 0.1357 36 H 5.2596 -0.5695 -0.1821 H 1 UNL1 0.1357 37 H 3.2610 -2.7188 -0.6298 H 1 UNL1 0.3584 38 H 1.2790 -3.0808 -2.0572 H 1 UNL1 0.3373 39 H 0.6939 2.4545 -2.3709 H 1 UNL1 0.1808 40 H 1.7897 -3.9802 0.9754 H 1 UNL1 0.3474 41 H -0.4274 1.5326 2.2894 H 1 UNL1 0.2043 42 H -3.1692 0.5947 -2.4890 H 1 UNL1 0.1731 43 H -1.2553 1.6770 -3.6417 H 1 UNL1 0.1626 44 H -2.3256 0.4350 3.3817 H 1 UNL1 0.1629 45 H -4.2278 -0.4157 2.0844 H 1 UNL1 0.1659 46 H -0.5984 -1.3547 2.2252 H 1 UNL1 0.3163 @BOND 1 43 25 1 2 25 24 ar 3 25 22 ar 4 42 24 1 5 39 22 1 6 29 13 1 7 38 3 1 8 3 14 1 9 24 21 ar 10 22 17 ar 11 13 2 1 12 13 14 1 13 13 15 1 14 2 37 1 15 31 15 1 16 30 14 1 17 14 16 1 18 10 11 2 19 10 26 1 20 5 1 2 21 21 26 ar 22 21 20 ar 23 17 20 ar 24 17 1 1 25 15 19 1 26 15 9 1 27 11 12 2 28 36 19 1 29 35 18 1 30 4 16 1 31 4 40 1 32 26 28 ar 33 20 23 ar 34 1 9 1 35 1 6 2 36 16 18 1 37 16 32 1 38 19 8 2 39 34 18 1 40 9 33 1 41 18 7 1 42 28 45 1 43 28 27 ar 44 23 41 1 45 23 27 ar 46 7 46 1 47 27 44 1