@MOLECULE 2-ethylhexyl nitrate 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.0224 0.0797 0.5108 O.2 1 UNL111 0.0399 2 O 3.4161 0.9029 -1.0244 O.2 1 UNL111 -0.2006 3 O 4.1553 0.1379 0.8857 O.2 1 UNL111 -0.0209 4 N 3.3093 0.4072 0.0730 N.pl3 1 UNL111 0.0338 5 C -0.2844 -0.0754 0.3239 C.3 1 UNL111 -0.2102 6 C -1.5112 0.4842 -0.4149 C.3 1 UNL111 -0.5672 7 C -0.3127 -1.6047 0.4940 C.3 1 UNL111 -0.1639 8 C -2.8062 0.2104 0.3595 C.3 1 UNL111 -0.1886 9 C 0.9783 0.3651 -0.4356 C.3 1 UNL111 -0.3285 10 C -4.0049 0.8609 -0.3442 C.3 1 UNL111 -0.2599 11 C -0.5483 -2.3782 -0.8016 C.3 1 UNL111 -0.6817 12 C -5.3013 0.5650 0.4098 C.3 1 UNL111 -0.7747 13 H -0.2505 0.3791 1.3490 H 1 UNL111 0.2031 14 H -1.3947 1.5765 -0.5594 H 1 UNL111 0.2122 15 H -1.5801 0.0512 -1.4305 H 1 UNL111 0.2170 16 H -1.0958 -1.8726 1.2309 H 1 UNL111 0.1315 17 H 0.6442 -1.9327 0.9517 H 1 UNL111 0.1574 18 H -2.7225 0.5924 1.3938 H 1 UNL111 0.1718 19 H -2.9730 -0.8797 0.4516 H 1 UNL111 0.1992 20 H 0.9791 1.4441 -0.6683 H 1 UNL111 0.1910 21 H 1.1460 -0.2098 -1.3617 H 1 UNL111 0.2255 22 H -3.8538 1.9543 -0.4205 H 1 UNL111 0.1457 23 H -4.0807 0.4913 -1.3841 H 1 UNL111 0.1561 24 H -1.5331 -2.1612 -1.2306 H 1 UNL111 0.2066 25 H -0.5032 -3.4597 -0.6249 H 1 UNL111 0.2166 26 H 0.2049 -2.1428 -1.5612 H 1 UNL111 0.2014 27 H -6.1629 1.0270 -0.0851 H 1 UNL111 0.2227 28 H -5.4947 -0.5120 0.4684 H 1 UNL111 0.2329 29 H -5.2662 0.9502 1.4350 H 1 UNL111 0.2318 @BOND 1 26 11 1 2 15 6 1 3 23 10 1 4 21 9 1 5 24 11 1 6 2 4 2 7 11 25 1 8 11 7 1 9 20 9 1 10 14 6 1 11 9 5 1 12 9 1 1 13 22 10 1 14 6 5 1 15 6 8 1 16 10 8 1 17 10 12 1 18 27 12 1 19 4 1 1 20 4 3 2 21 5 7 1 22 5 13 1 23 8 19 1 24 8 18 1 25 12 28 1 26 12 29 1 27 7 17 1 28 7 16 1