@MOLECULE 2,2'-{[(2r,3r)-2,3-dihydroxy-1,4-dioxo-1,4-butanediyl]diimino}diacetyl azide 32 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.6374 -1.2479 -1.2704 O.3 1 UNL1 -0.5032 2 O 0.6431 1.2218 -1.2819 O.3 1 UNL1 -0.5035 3 O 1.9032 -2.0011 -0.9733 O.2 1 UNL1 -0.4872 4 O -1.8922 1.9900 -0.9782 O.2 1 UNL1 -0.4874 5 O 5.7633 -0.9246 0.6131 O.2 1 UNL1 -0.4716 6 O -5.7590 0.9476 0.6211 O.2 1 UNL1 -0.4716 7 N 2.1502 -1.1029 1.1025 N.am 1 UNL1 -0.5665 8 N -2.1407 1.0948 1.0984 N.am 1 UNL1 -0.5661 9 N 4.1015 0.6286 0.2787 N.am 1 UNL1 -0.5420 10 N -4.1119 -0.6205 0.2749 N.am 1 UNL1 -0.5412 11 N 4.8246 1.4717 -0.3066 N.2 1 UNL1 0.4790 12 N -4.8465 -1.4571 -0.3053 N.2 1 UNL1 0.4787 13 N 5.3008 2.3391 -0.8485 N.2 1 UNL1 -0.1148 14 N -5.3347 -2.3206 -0.8428 N.2 1 UNL1 -0.1144 15 C 0.0166 -0.7809 -0.1266 C.3 1 UNL1 0.0230 16 C -0.0084 0.7644 -0.1328 C.3 1 UNL1 0.0231 17 C 1.4517 -1.3178 -0.0831 C.2 1 UNL1 0.5422 18 C -1.4430 1.3043 -0.0887 C.2 1 UNL1 0.5417 19 C 3.5211 -1.5842 1.1878 C.3 1 UNL1 -0.1242 20 C -3.5080 1.5859 1.1849 C.3 1 UNL1 -0.1242 21 C 4.5950 -0.6367 0.6716 C.2 1 UNL1 0.5528 22 C -4.5922 0.6485 0.6711 C.2 1 UNL1 0.5523 23 H -0.5809 -1.2112 0.7124 H 1 UNL1 0.1626 24 H 0.5917 1.2016 0.7029 H 1 UNL1 0.1631 25 H 1.9193 -0.3229 1.7007 H 1 UNL1 0.3103 26 H -1.9157 0.3109 1.6938 H 1 UNL1 0.3102 27 H 3.6209 -2.5478 0.6066 H 1 UNL1 0.2122 28 H 3.7592 -1.8350 2.2532 H 1 UNL1 0.1793 29 H -3.6003 2.5499 0.6050 H 1 UNL1 0.2120 30 H -3.7371 1.8379 2.2518 H 1 UNL1 0.1794 31 H 0.0117 -1.3774 -2.0130 H 1 UNL1 0.3481 32 H -0.0078 1.3556 -2.0203 H 1 UNL1 0.3479 @BOND 1 32 2 1 2 31 1 1 3 2 16 1 4 1 15 1 5 4 18 2 6 3 17 2 7 13 11 2 8 14 12 2 9 11 9 2 10 12 10 2 11 16 15 1 12 16 18 1 13 16 24 1 14 15 17 1 15 15 23 1 16 18 8 am 17 17 7 am 18 10 22 1 19 9 21 1 20 29 20 1 21 27 19 1 22 5 21 2 23 6 22 2 24 22 20 1 25 21 19 1 26 8 20 1 27 8 26 1 28 7 19 1 29 7 25 1 30 20 30 1 31 19 28 1