@MOLECULE triethylene glycol dinitrate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7551 -0.1600 0.0181 O.3 1 UNL1111111111111 0.0467 2 O 1.7552 0.1605 0.0201 O.3 1 UNL1111111111111 0.0088 3 O -5.1972 0.5773 0.0018 O.2 1 UNL1111111111111 0.0062 4 O 5.1971 -0.5774 0.0013 O.2 1 UNL1111111111111 0.0656 5 O -6.4263 -1.2866 -0.0357 O.2 1 UNL1111111111111 -0.0818 6 O 6.4265 1.2863 -0.0349 O.2 1 UNL1111111111111 -0.1562 7 O -7.3592 0.6927 -0.0004 O.2 1 UNL1111111111111 -0.0458 8 O 7.3590 -0.6933 -0.0029 O.2 1 UNL1111111111111 -0.0039 9 N -6.4398 -0.0807 -0.0131 N.pl3 1 UNL1111111111111 -0.0116 10 N 6.4397 0.0804 -0.0138 N.pl3 1 UNL1111111111111 -0.0054 11 C -0.5285 0.5590 0.0322 C.3 1 UNL1111111111111 -0.4210 12 C 0.5286 -0.5585 0.0350 C.3 1 UNL1111111111111 -0.4796 13 C -2.8877 0.6968 0.0093 C.3 1 UNL1111111111111 -0.7257 14 C 2.8878 -0.6965 0.0127 C.3 1 UNL1111111111111 -0.6255 15 C -4.0620 -0.2961 -0.0132 C.3 1 UNL1111111111111 -0.1955 16 C 4.0621 0.2962 -0.0115 C.3 1 UNL1111111111111 -0.2975 17 H -0.4453 1.1945 -0.8664 H 1 UNL1111111111111 0.2134 18 H -0.4615 1.1853 0.9384 H 1 UNL1111111111111 0.2318 19 H 0.4465 -1.1973 -0.8614 H 1 UNL1111111111111 0.2392 20 H 0.4604 -1.1814 0.9434 H 1 UNL1111111111111 0.2564 21 H -2.8986 1.3260 0.9171 H 1 UNL1111111111111 0.2896 22 H -2.8752 1.3396 -0.8887 H 1 UNL1111111111111 0.2705 23 H 2.8986 -1.3240 0.9216 H 1 UNL1111111111111 0.2867 24 H 2.8752 -1.3409 -0.8841 H 1 UNL1111111111111 0.2674 25 H -4.0672 -0.9531 0.8747 H 1 UNL1111111111111 0.2254 26 H -4.0642 -0.9174 -0.9262 H 1 UNL1111111111111 0.2023 27 H 4.0689 0.9532 0.8764 H 1 UNL1111111111111 0.2308 28 H 4.0629 0.9177 -0.9244 H 1 UNL1111111111111 0.2088 @BOND 1 1 11 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 9 1 6 3 15 1 7 4 10 1 8 4 16 1 9 5 9 2 10 6 10 2 11 7 9 2 12 8 10 2 13 11 12 1 14 11 17 1 15 11 18 1 16 12 19 1 17 12 20 1 18 13 15 1 19 13 21 1 20 13 22 1 21 14 16 1 22 14 23 1 23 14 24 1 24 15 25 1 25 15 26 1 26 16 27 1 27 16 28 1