@MOLECULE (2R,3R)-2,3-ditert-butyloxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9833 0.4880 0.9941 C.3 1 UNL11111111 -0.4603 2 C 1.9978 -0.1400 -0.0049 C.3 1 UNL11111111 0.1011 3 C 2.2711 0.4242 -1.4041 C.3 1 UNL11111111 -0.4584 4 C 2.1585 -1.6684 -0.0135 C.3 1 UNL11111111 -0.4632 5 C 0.5834 0.1751 0.4641 C.3 1 UNL11111111 -0.0266 6 H 0.4200 -0.0088 1.5312 H 1 UNL11111111 0.1495 7 O 0.0009 1.3963 -0.0010 O.3 1 UNL11111111 -0.3541 8 C -0.5836 0.1756 -0.4648 C.3 1 UNL11111111 -0.0267 9 H -0.4208 -0.0092 -1.5318 H 1 UNL11111111 0.1496 10 C -1.9981 -0.1383 0.0053 C.3 1 UNL11111111 0.1012 11 C -2.9843 0.4717 -1.0045 C.3 1 UNL11111111 -0.4604 12 C -2.1545 -1.6669 0.0313 C.3 1 UNL11111111 -0.4632 13 C -2.2746 0.4402 1.3981 C.3 1 UNL11111111 -0.4583 14 H 2.8541 1.5769 1.0351 H 1 UNL11111111 0.1551 15 H 2.8403 0.0988 2.0068 H 1 UNL11111111 0.1429 16 H 4.0211 0.2887 0.7085 H 1 UNL11111111 0.1464 17 H 3.3283 0.3299 -1.6718 H 1 UNL11111111 0.1452 18 H 1.6901 -0.0921 -2.1742 H 1 UNL11111111 0.1419 19 H 2.0076 1.4898 -1.4532 H 1 UNL11111111 0.1628 20 H 2.0219 -2.0933 0.9860 H 1 UNL11111111 0.1447 21 H 1.4266 -2.1411 -0.6776 H 1 UNL11111111 0.1463 22 H 3.1558 -1.9580 -0.3615 H 1 UNL11111111 0.1495 23 H -2.8429 0.0621 -2.0096 H 1 UNL11111111 0.1429 24 H -4.0218 0.2789 -0.7136 H 1 UNL11111111 0.1465 25 H -2.8547 1.5591 -1.0678 H 1 UNL11111111 0.1549 26 H -1.4355 -2.1295 0.7162 H 1 UNL11111111 0.1463 27 H -3.1585 -1.9539 0.3618 H 1 UNL11111111 0.1495 28 H -1.9964 -2.1045 -0.9597 H 1 UNL11111111 0.1445 29 H -2.0076 1.5054 1.4378 H 1 UNL11111111 0.1630 30 H -3.3328 0.3527 1.6640 H 1 UNL11111111 0.1452 31 H -1.6984 -0.0714 2.1751 H 1 UNL11111111 0.1420 @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 8 9 1 9 5 8 1 10 8 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1