@MOLECULE (2R,3S)-2-(2,2-dimethylbutyl)-3-ethyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3958 0.9108 0.0093 C.3 1 UNL11111111 -0.4349 2 C 2.8725 0.8813 -0.1061 C.3 1 UNL11111111 -0.2738 3 C 2.3156 -0.4503 0.3319 C.3 1 UNL11111111 -0.0018 4 H 2.9742 -1.0454 0.9725 H 1 UNL11111111 0.1489 5 O 1.6644 -1.2171 -0.6876 O.3 1 UNL11111111 -0.3679 6 C 0.8410 -0.7068 0.3678 C.3 1 UNL11111111 0.0089 7 H 0.4566 -1.4865 1.0338 H 1 UNL11111111 0.1507 8 C -0.1428 0.3625 -0.0265 C.3 1 UNL11111111 -0.3321 9 C -1.6278 -0.0706 0.1045 C.3 1 UNL11111111 0.1183 10 C -1.8828 -1.3105 -0.7603 C.3 1 UNL11111111 -0.4627 11 C -1.9529 -0.3728 1.5740 C.3 1 UNL11111111 -0.4647 12 C -2.4847 1.1211 -0.3966 C.3 1 UNL11111111 -0.2782 13 C -3.9919 0.8782 -0.3252 C.3 1 UNL11111111 -0.4330 14 H 4.8045 1.8551 -0.3679 H 1 UNL11111111 0.1436 15 H 4.7253 0.8017 1.0484 H 1 UNL11111111 0.1423 16 H 4.8557 0.1012 -0.5712 H 1 UNL11111111 0.1510 17 H 2.4292 1.6960 0.5010 H 1 UNL11111111 0.1445 18 H 2.5708 1.0856 -1.1559 H 1 UNL11111111 0.1594 19 H 0.0286 1.2666 0.5911 H 1 UNL11111111 0.1477 20 H 0.0532 0.6673 -1.0766 H 1 UNL11111111 0.1624 21 H -1.2122 -2.1349 -0.4919 H 1 UNL11111111 0.1508 22 H -2.9088 -1.6748 -0.6496 H 1 UNL11111111 0.1448 23 H -1.7169 -1.0975 -1.8224 H 1 UNL11111111 0.1491 24 H -1.7664 0.4975 2.2109 H 1 UNL11111111 0.1431 25 H -3.0043 -0.6542 1.6989 H 1 UNL11111111 0.1478 26 H -1.3544 -1.2041 1.9603 H 1 UNL11111111 0.1428 27 H -2.2333 2.0227 0.1938 H 1 UNL11111111 0.1326 28 H -2.2036 1.3544 -1.4417 H 1 UNL11111111 0.1366 29 H -4.5448 1.7360 -0.7245 H 1 UNL11111111 0.1374 30 H -4.2878 -0.0014 -0.9078 H 1 UNL11111111 0.1451 31 H -4.3287 0.7234 0.7056 H 1 UNL11111111 0.1412 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 3 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 9 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 8 19 1 20 8 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 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