@MOLECULE 1,4:3,6-dianhydro-2-o-nitro-d-glucitol 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.5051 0.8381 0.6307 C.3 1 UNL1 0.0503 2 C -1.4858 -0.2932 0.9942 C.3 1 UNL1 0.0052 3 C 0.5725 0.1560 -0.2503 C.3 1 UNL1 -0.0014 4 C -2.8032 0.0775 0.2551 C.3 1 UNL1 0.0791 5 H -2.6455 -1.6713 -0.6473 H 1 UNL1 0.3364 6 O 2.9112 -0.2073 -1.2892 O.2 1 UNL1 -0.3714 7 C 0.0931 -1.2857 -0.4243 C.3 1 UNL1 -0.0850 8 C -2.4002 1.2531 -0.6558 C.3 1 UNL1 -0.0956 9 O -3.3228 -0.9654 -0.5200 O.3 1 UNL1 -0.5344 10 O 1.7399 0.2065 0.5686 O.2 1 UNL1 -0.3136 11 O -1.1935 1.8047 -0.1308 O.3 1 UNL1 -0.3824 12 O -0.9739 -1.5155 0.4955 O.3 1 UNL1 -0.3886 13 O 3.9026 0.1131 0.6357 O.2 1 UNL1 -0.2846 14 N 2.9633 0.0206 -0.1056 N.pl3 1 UNL1 0.7183 15 H -0.0755 1.3991 1.4843 H 1 UNL1 0.1734 16 H -1.6239 -0.4747 2.0747 H 1 UNL1 0.1615 17 H 0.7318 0.6993 -1.2059 H 1 UNL1 0.1787 18 H -3.6249 0.3331 0.9554 H 1 UNL1 0.1506 19 H -0.2951 -1.4890 -1.4367 H 1 UNL1 0.1426 20 H 0.8532 -2.0414 -0.1549 H 1 UNL1 0.1639 21 H -2.2198 0.9308 -1.6944 H 1 UNL1 0.1454 22 H -3.1081 2.0959 -0.6426 H 1 UNL1 0.1517 @BOND 1 21 8 1 2 19 7 1 3 6 14 2 4 17 3 1 5 8 22 1 6 8 11 1 7 8 4 1 8 5 9 1 9 9 4 1 10 7 3 1 11 7 20 1 12 7 12 1 13 3 10 1 14 3 1 1 15 11 1 1 16 14 10 1 17 14 13 2 18 4 18 1 19 4 2 1 20 12 2 1 21 1 2 1 22 1 15 1 23 2 16 1