@MOLECULE dinitroglycerol 18 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6825 0.4343 -0.8300 C.3 1 UNL1 0.0030 2 C -0.7191 -0.1272 -1.0972 C.3 1 UNL1 -0.0932 3 C 0.6772 1.8386 -0.2064 C.3 1 UNL1 -0.0412 4 H 0.0076 1.2606 1.5595 H 1 UNL1 0.3256 5 O -3.2905 -0.3052 1.1611 O.2 1 UNL1 -0.2827 6 O 3.2548 0.1353 -0.6161 O.2 1 UNL1 -0.3799 7 O -0.1981 1.9387 0.8862 O.3 1 UNL1 -0.5132 8 O -1.3375 -0.2580 0.1900 O.2 1 UNL1 -0.2655 9 O 1.2354 -0.5024 0.1013 O.2 1 UNL1 -0.3029 10 O -3.1701 -0.6992 -0.9890 O.2 1 UNL1 -0.3871 11 O 3.0237 -1.3954 0.9325 O.2 1 UNL1 -0.2746 12 N -2.7312 -0.4344 0.1071 N.pl3 1 UNL1 0.7131 13 N 2.6414 -0.5877 0.1325 N.pl3 1 UNL1 0.7113 14 H -1.2939 0.5755 -1.7360 H 1 UNL1 0.1659 15 H -0.6888 -1.1260 -1.5759 H 1 UNL1 0.1596 16 H 1.2662 0.4303 -1.7881 H 1 UNL1 0.1675 17 H 1.6954 2.1427 0.1070 H 1 UNL1 0.1387 18 H 0.2830 2.5965 -0.9153 H 1 UNL1 0.1555 @BOND 1 16 1 1 2 14 2 1 3 15 2 1 4 2 1 1 5 2 8 1 6 10 12 2 7 18 3 1 8 1 3 1 9 1 9 1 10 6 13 2 11 3 17 1 12 3 7 1 13 9 13 1 14 12 8 1 15 12 5 2 16 13 11 2 17 7 4 1