@MOLECULE (8-hydroxy-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl nitrate 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6310 0.4472 1.3788 O.3 1 UNL1 -0.2986 2 O 0.3323 2.7224 -0.3208 O.3 1 UNL1 -0.2820 3 O 3.1971 -0.4903 0.3423 O.2 1 UNL1 -0.3109 4 O -1.2897 -1.4980 1.2951 O.3 1 UNL1 -0.3619 5 O -4.5379 -1.0565 -1.0385 O.2 1 UNL1 -0.4333 6 O -3.6701 -2.0523 0.6573 O.2 1 UNL1 -0.3640 7 O 4.4285 -2.2336 -0.0233 O.2 1 UNL1 -0.2851 8 O 3.6122 -1.1565 -1.7470 O.2 1 UNL1 -0.3642 9 N -3.6688 -1.1746 -0.1836 N.pl3 1 UNL1 0.6585 10 N 3.7987 -1.3742 -0.5758 N.pl3 1 UNL1 0.7185 11 C 1.7636 1.2048 0.9686 C.3 1 UNL1 0.0475 12 C 1.3351 2.6480 0.6951 C.3 1 UNL1 -0.1100 13 C -0.4562 0.6303 0.5594 C.ar 1 UNL1 -0.1149 14 C 2.4209 0.5550 -0.2527 C.3 1 UNL1 -0.1159 15 C -0.6223 1.7645 -0.2309 C.ar 1 UNL1 0.2413 16 C -1.4380 -0.3757 0.5789 C.ar 1 UNL1 0.3233 17 C -1.7695 1.9300 -1.0221 C.ar 1 UNL1 -0.2875 18 C -2.6034 -0.1973 -0.1873 C.ar 1 UNL1 -0.2227 19 C -2.7474 0.9528 -0.9867 C.ar 1 UNL1 0.0008 20 H -0.3683 -1.5464 1.6924 H 1 UNL1 0.3398 21 H 2.4190 1.1268 1.8742 H 1 UNL1 0.1836 22 H 0.9204 3.1220 1.6066 H 1 UNL1 0.1603 23 H 2.1435 3.2798 0.2832 H 1 UNL1 0.1663 24 H 1.6752 0.1363 -0.9567 H 1 UNL1 0.1720 25 H 3.0882 1.2407 -0.8042 H 1 UNL1 0.1562 26 H -1.8749 2.8181 -1.6418 H 1 UNL1 0.1881 27 H -3.6594 1.0647 -1.5917 H 1 UNL1 0.1948 @BOND 1 8 10 2 2 26 17 1 3 27 19 1 4 5 9 2 5 17 19 ar 6 17 15 ar 7 19 18 ar 8 24 14 1 9 25 14 1 10 10 7 2 11 10 3 1 12 2 15 1 13 2 12 1 14 14 3 1 15 14 11 1 16 15 13 ar 17 18 9 1 18 18 16 ar 19 9 6 2 20 23 12 1 21 13 16 ar 22 13 1 1 23 16 4 1 24 12 11 1 25 12 22 1 26 11 1 1 27 11 21 1 28 4 20 1