@MOLECULE dimethyl(pentyl)oxonium 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1742 0.1922 0.0700 C.3 1 UNL111 -0.4401 2 C 2.8406 -0.3705 -0.4215 C.3 1 UNL111 -0.2502 3 C 1.6655 0.2745 0.3259 C.3 1 UNL111 -0.2698 4 C 0.3278 -0.2461 -0.2156 C.3 1 UNL111 -0.2782 5 C -0.8363 0.3770 0.5449 C.3 1 UNL111 -0.3078 6 O -2.0597 0.0021 -0.2109 O.3 1 UNL111 0.1278 7 C -2.6250 -1.3038 0.1775 C.3 1 UNL111 -0.4651 8 C -3.0753 1.0712 -0.2796 C.3 1 UNL111 -0.4708 9 H 4.3083 0.0240 1.1445 H 1 UNL111 0.1424 10 H 5.0183 -0.2798 -0.4446 H 1 UNL111 0.1401 11 H 4.2422 1.2714 -0.1075 H 1 UNL111 0.1423 12 H 2.7373 -0.1994 -1.5097 H 1 UNL111 0.1342 13 H 2.8190 -1.4679 -0.2831 H 1 UNL111 0.1334 14 H 1.7444 0.0645 1.4086 H 1 UNL111 0.1366 15 H 1.7126 1.3749 0.2270 H 1 UNL111 0.1369 16 H 0.2378 -0.0148 -1.2949 H 1 UNL111 0.1429 17 H 0.2915 -1.3490 -0.1414 H 1 UNL111 0.1376 18 H -0.9146 0.0203 1.5755 H 1 UNL111 0.1325 19 H -0.7771 1.4705 0.5610 H 1 UNL111 0.1358 20 H -1.8123 -2.0242 0.1661 H 1 UNL111 0.1424 21 H -3.0782 -1.2552 1.1622 H 1 UNL111 0.1367 22 H -3.3656 -1.5574 -0.5757 H 1 UNL111 0.1407 23 H -3.8765 0.7095 -0.9170 H 1 UNL111 0.1416 24 H -3.4525 1.3146 0.7075 H 1 UNL111 0.1369 25 H -2.5924 1.9322 -0.7334 H 1 UNL111 0.1416 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 7 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1