@MOLECULE 1,2,4-trioxane 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0819 -1.3219 -0.3572 C.3 1 UNL11111111 -0.0400 2 C 1.2565 -0.6996 0.0632 C.3 1 UNL11111111 -0.1787 3 O 1.1107 0.6890 0.3354 O.3 1 UNL11111111 -0.1180 4 O 0.0349 1.1812 -0.4660 O.3 1 UNL11111111 -0.1820 5 C -1.1560 0.7270 0.1284 C.3 1 UNL11111111 0.0993 6 O -1.1589 -0.6826 0.2936 O.3 1 UNL11111111 -0.4221 7 H -0.1843 -2.3702 -0.0224 H 1 UNL11111111 0.1481 8 H -0.2343 -1.2611 -1.4503 H 1 UNL11111111 0.1312 9 H 2.0277 -0.8240 -0.7156 H 1 UNL11111111 0.1373 10 H 1.6282 -1.1031 1.0230 H 1 UNL11111111 0.1514 11 H -1.9447 1.0049 -0.5923 H 1 UNL11111111 0.1355 12 H -1.3028 1.1281 1.1446 H 1 UNL11111111 0.1379 @BOND 1 8 1 1 2 9 2 1 3 11 5 1 4 4 5 1 5 4 3 1 6 1 7 1 7 1 2 1 8 1 6 1 9 2 3 1 10 2 10 1 11 5 6 1 12 5 12 1