@MOLECULE 2,3-epoxy-2,4,4-trimethylpentane 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.4210 1.0193 -1.0206 C.3 1 UNL11111111 -0.4590 2 C 1.2840 -0.0071 0.1087 C.3 1 UNL11111111 0.1072 3 C 2.3445 -1.1068 -0.1007 C.3 1 UNL11111111 -0.4631 4 C 1.5075 0.6646 1.4727 C.3 1 UNL11111111 -0.4630 5 C -0.0810 -0.6813 0.1279 C.3 1 UNL11111111 -0.0410 6 H -0.0547 -1.6622 0.6251 H 1 UNL11111111 0.1452 7 O -0.8423 -0.6937 -1.0826 O.3 1 UNL11111111 -0.3766 8 C -1.4192 -0.0085 0.0376 C.3 1 UNL11111111 0.1985 9 C -2.6011 -0.7178 0.6508 C.3 1 UNL11111111 -0.4729 10 C -1.6000 1.4735 -0.1313 C.3 1 UNL11111111 -0.4674 11 H 1.0169 0.6196 -1.9611 H 1 UNL11111111 0.1637 12 H 0.8850 1.9467 -0.8009 H 1 UNL11111111 0.1437 13 H 2.4687 1.2849 -1.1950 H 1 UNL11111111 0.1442 14 H 3.3544 -0.6849 -0.1180 H 1 UNL11111111 0.1472 15 H 2.3170 -1.8571 0.6952 H 1 UNL11111111 0.1423 16 H 2.1847 -1.6247 -1.0543 H 1 UNL11111111 0.1542 17 H 0.7559 1.4362 1.6681 H 1 UNL11111111 0.1444 18 H 1.4548 -0.0610 2.2913 H 1 UNL11111111 0.1452 19 H 2.4915 1.1433 1.5174 H 1 UNL11111111 0.1490 20 H -2.4756 -1.8089 0.6426 H 1 UNL11111111 0.1605 21 H -2.7531 -0.4041 1.6904 H 1 UNL11111111 0.1555 22 H -3.5231 -0.5069 0.0922 H 1 UNL11111111 0.1609 23 H -2.6531 1.7729 -0.0526 H 1 UNL11111111 0.1560 24 H -1.0406 2.0398 0.6234 H 1 UNL11111111 0.1550 25 H -1.2543 1.7999 -1.1244 H 1 UNL11111111 0.1702 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 5 8 1 9 8 9 1 10 8 10 1 11 1 11 1 12 1 12 1 13 1 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 9 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1