@MOLECULE 2,3-dibutyloxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.6570 -0.4733 0.3233 C.3 1 UNL111111111 -0.4394 2 C 4.3868 -0.4346 -0.5266 C.3 1 UNL111111111 -0.2492 3 C 3.1685 -0.0636 0.3291 C.3 1 UNL111111111 -0.2649 4 C 1.8948 -0.0338 -0.5243 C.3 1 UNL111111111 -0.3040 5 C 0.6786 0.2543 0.3182 C.3 1 UNL111111111 0.0011 6 H 0.7793 0.0548 1.3886 H 1 UNL111111111 0.1507 7 O -0.0048 1.4785 0.0251 O.3 1 UNL111111111 -0.3619 8 C -0.6776 0.2596 -0.3110 C.3 1 UNL111111111 0.0010 9 H -0.7766 0.0968 -1.3878 H 1 UNL111111111 0.1507 10 C -1.8918 -0.0685 0.5195 C.3 1 UNL111111111 -0.3040 11 C -3.1682 -0.0497 -0.3305 C.3 1 UNL111111111 -0.2648 12 C -4.3840 -0.4619 0.5098 C.3 1 UNL111111111 -0.2492 13 C -5.6588 -0.4519 -0.3338 C.3 1 UNL111111111 -0.4394 14 H 5.5799 -1.2122 1.1285 H 1 UNL111111111 0.1416 15 H 6.5321 -0.7357 -0.2811 H 1 UNL111111111 0.1398 16 H 5.8577 0.4995 0.7865 H 1 UNL111111111 0.1447 17 H 4.5065 0.2942 -1.3508 H 1 UNL111111111 0.1361 18 H 4.2262 -1.4165 -1.0103 H 1 UNL111111111 0.1325 19 H 3.0578 -0.7880 1.1576 H 1 UNL111111111 0.1363 20 H 3.3263 0.9229 0.8059 H 1 UNL111111111 0.1449 21 H 1.9917 0.7336 -1.3215 H 1 UNL111111111 0.1628 22 H 1.7673 -1.0006 -1.0506 H 1 UNL111111111 0.1481 23 H -1.7655 -1.0616 0.9946 H 1 UNL111111111 0.1481 24 H -1.9844 0.6568 1.3556 H 1 UNL111111111 0.1626 25 H -3.3242 0.9613 -0.7536 H 1 UNL111111111 0.1451 26 H -3.0628 -0.7292 -1.1968 H 1 UNL111111111 0.1363 27 H -4.2238 -1.4687 0.9395 H 1 UNL111111111 0.1324 28 H -4.4973 0.2221 1.3725 H 1 UNL111111111 0.1361 29 H -5.8595 0.5445 -0.7436 H 1 UNL111111111 0.1447 30 H -5.5882 -1.1473 -1.1775 H 1 UNL111111111 0.1416 31 H -6.5312 -0.7441 0.2607 H 1 UNL111111111 0.1398 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 5 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1