@MOLECULE oxapium 25 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3106 -0.4688 0.1640 O.2 1 UNL1 -0.3327 2 O 1.4237 -0.1818 -1.8249 O.2 1 UNL1 -0.2978 3 N -2.6201 -2.1638 -0.0369 N.pl3 1 UNL1 -0.1809 4 C -1.5474 -1.6281 -0.6571 C.3 1 UNL1 -0.0468 5 C 1.5106 0.0818 -0.3740 C.3 1 UNL1 0.3929 6 C 1.5366 1.5481 -0.1770 C.ar 1 UNL1 -0.0982 7 C -0.4201 -1.0337 -0.8916 C.2 1 UNL1 -0.0107 8 C -3.6947 -1.3469 0.1011 C.1 1 UNL1 0.0750 9 C -7.7638 1.7109 0.6263 C.3 1 UNL1 0.4043 10 C -4.6671 -0.5923 0.2180 C.1 1 UNL1 -0.1692 11 C -6.7287 0.9420 0.4877 C.1 1 UNL1 -0.5977 12 C 2.5279 2.3957 -0.6699 C.ar 1 UNL1 0.0383 13 C 0.5751 2.2791 0.5173 C.ar 1 UNL1 0.0566 14 C 0.3598 -0.8028 -2.1616 C.2 1 UNL1 0.3504 15 C -5.7151 0.1913 0.3543 C.1 1 UNL1 0.2700 16 C -2.6425 -3.4493 0.3791 C.3 1 UNL1 0.2056 17 C 2.5471 3.7070 -0.4981 C.ar 1 UNL1 -0.0439 18 C 0.6051 3.5920 0.6865 C.ar 1 UNL1 -0.0391 19 C 1.5902 4.3375 0.1837 C.ar 1 UNL1 0.0573 20 C 2.6687 -0.6696 0.1642 C.ar 1 UNL1 -0.0904 21 C 2.9219 -2.0122 -0.1139 C.ar 1 UNL1 0.0399 22 C 3.6405 -0.1621 1.0239 C.ar 1 UNL1 0.0383 23 C 3.9444 -2.6991 0.3684 C.ar 1 UNL1 -0.0467 24 C 4.6599 -0.8582 1.5018 C.ar 1 UNL1 -0.0351 25 C 4.8367 -2.1413 1.1864 C.ar 1 UNL1 0.0608 @BOND 1 14 2 1 2 14 7 2 3 2 5 1 4 7 4 1 5 7 1 1 6 12 17 ar 7 12 6 ar 8 4 3 1 9 17 19 ar 10 5 6 1 11 5 1 1 12 5 20 1 13 6 13 ar 14 21 20 ar 15 21 23 ar 16 3 8 1 17 3 16 1 18 8 10 3 19 20 22 ar 20 19 18 ar 21 10 15 1 22 15 11 3 23 23 25 ar 24 11 9 1 25 13 18 ar 26 22 24 ar 27 25 24 ar