@MOLECULE (2r,3r)-2-(4-nitrophenyl)-3-propyloxirane 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1041 -1.8926 -0.2131 O.3 1 UNL1 -0.3367 2 O 4.3224 1.5533 0.0700 O.2 1 UNL1 -0.4023 3 O 4.6449 -0.5166 0.5601 O.2 1 UNL1 -0.3968 4 N 3.9256 0.4079 0.2170 N.pl3 1 UNL1 0.6224 5 C -2.5424 -0.7065 0.4554 C.3 1 UNL1 0.0286 6 C -1.5978 -0.6480 -0.7061 C.3 1 UNL1 -0.0437 7 C -3.9928 -0.3501 0.2718 C.3 1 UNL1 -0.3049 8 C -0.1621 -0.3875 -0.4715 C.ar 1 UNL1 0.0280 9 C -4.1802 1.1688 0.3783 C.3 1 UNL1 -0.2403 10 C 0.6835 -1.4190 -0.0565 C.ar 1 UNL1 -0.1633 11 C 0.3356 0.9040 -0.6703 C.ar 1 UNL1 -0.1848 12 C -5.6550 1.5432 0.2425 C.3 1 UNL1 -0.4389 13 C 2.0327 -1.1658 0.1653 C.ar 1 UNL1 -0.0794 14 C 1.6813 1.1699 -0.4453 C.ar 1 UNL1 -0.0780 15 C 2.5184 0.1310 -0.0269 C.ar 1 UNL1 -0.0875 16 H -2.1522 -0.6012 1.4737 H 1 UNL1 0.1570 17 H -1.9663 -0.3830 -1.7052 H 1 UNL1 0.1705 18 H -4.6098 -0.8698 1.0336 H 1 UNL1 0.1589 19 H -4.3711 -0.7200 -0.7030 H 1 UNL1 0.1606 20 H -3.5862 1.6799 -0.4036 H 1 UNL1 0.1357 21 H -3.7855 1.5345 1.3461 H 1 UNL1 0.1384 22 H 0.2777 -2.4234 0.0917 H 1 UNL1 0.1833 23 H -0.3298 1.7030 -0.9961 H 1 UNL1 0.1659 24 H -6.0684 1.2159 -0.7183 H 1 UNL1 0.1451 25 H -5.7974 2.6281 0.3074 H 1 UNL1 0.1437 26 H -6.2615 1.0874 1.0338 H 1 UNL1 0.1458 27 H 2.7071 -1.9677 0.4856 H 1 UNL1 0.1879 28 H 2.0833 2.1775 -0.5922 H 1 UNL1 0.1848 @BOND 1 17 6 1 2 23 11 1 3 24 12 1 4 6 8 1 5 6 1 1 6 6 5 1 7 19 7 1 8 11 8 ar 9 11 14 ar 10 28 14 1 11 8 10 ar 12 14 15 ar 13 20 9 1 14 1 5 1 15 10 22 1 16 10 13 ar 17 15 13 ar 18 15 4 1 19 2 4 2 20 13 27 1 21 4 3 2 22 12 25 1 23 12 9 1 24 12 26 1 25 7 9 1 26 7 5 1 27 7 18 1 28 9 21 1 29 5 16 1