@MOLECULE 1,4-dinitro-2-methyl-2-butene 19 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.7947 -0.0259 -1.0150 C.3 1 UNL1 -0.2640 2 C 1.7429 0.5325 0.4446 C.3 1 UNL1 -0.2407 3 C -0.7825 2.1054 -0.1211 C.3 1 UNL1 -0.4636 4 O -2.9623 -1.6313 0.1883 O.2 1 UNL1 -0.3809 5 O 2.8463 -1.4601 -0.0825 O.2 1 UNL1 -0.3837 6 C -0.6001 0.6590 -0.4041 C.2 1 UNL1 0.0282 7 C 0.5117 -0.0466 -0.1619 C.2 1 UNL1 -0.1938 8 O -3.2568 0.4306 0.7381 O.2 1 UNL1 -0.3978 9 O 4.0178 0.3390 0.0817 O.2 1 UNL1 -0.3957 10 N -2.7469 -0.4421 0.0612 N.pl3 1 UNL1 0.6122 11 N 2.9626 -0.2672 0.1150 N.pl3 1 UNL1 0.6082 12 H -2.3339 0.6544 -1.7164 H 1 UNL1 0.1876 13 H -1.5036 -0.9264 -1.6088 H 1 UNL1 0.1922 14 H 0.5672 -1.1203 -0.3832 H 1 UNL1 0.1922 15 H 1.9230 1.5876 0.1189 H 1 UNL1 0.1915 16 H 1.6493 0.5617 1.5614 H 1 UNL1 0.1971 17 H 0.0000 2.5352 0.5168 H 1 UNL1 0.1581 18 H -0.8066 2.7002 -1.0475 H 1 UNL1 0.1659 19 H -1.7390 2.2948 0.4030 H 1 UNL1 0.1869 @BOND 1 12 1 1 2 13 1 1 3 18 3 1 4 1 6 1 5 1 10 1 6 6 7 2 7 6 3 1 8 14 7 1 9 7 2 1 10 3 19 1 11 3 17 1 12 5 11 2 13 10 4 2 14 10 8 2 15 9 11 2 16 11 2 1 17 15 2 1 18 2 16 1