@MOLECULE methane 5 4 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.0634 -0.6247 0.0047 C.3 1 UNL11 -0.6031 2 H 2.1487 -0.6291 0.0130 H 1 UNL11 0.1508 3 H 0.7053 -1.2286 -0.8231 H 1 UNL11 0.1508 4 H 0.7061 0.3933 -0.1108 H 1 UNL11 0.1507 5 H 0.6931 -1.0347 0.9387 H 1 UNL11 0.1508 @BOND 1 3 1 1 2 4 1 1 3 1 2 1 4 1 5 1