@MOLECULE n-tert-butyl-.alpha.-phenylnitrone 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.9669 -1.4667 -0.3467 O.3 1 UNL1 -0.4729 2 N -1.1492 -0.2709 -0.0660 N.4 1 UNL1 0.3116 3 C -2.6029 0.1622 0.0209 C.3 1 UNL1 0.1961 4 C -3.4931 -0.9926 -0.4475 C.3 1 UNL1 -0.4615 5 C -2.8974 0.5021 1.4870 C.3 1 UNL1 -0.4800 6 C -2.8106 1.3805 -0.8870 C.3 1 UNL1 -0.4816 7 C -0.1762 0.5904 0.1583 C.3 1 UNL1 -0.2886 8 C 1.2434 0.2785 0.0880 C.ar 1 UNL1 0.0335 9 C 2.1396 1.3453 -0.0874 C.ar 1 UNL1 -0.1726 10 C 1.7425 -1.0228 0.1992 C.ar 1 UNL1 -0.1441 11 C 3.5074 1.1077 -0.1563 C.ar 1 UNL1 -0.1450 12 C 3.1154 -1.2539 0.1336 C.ar 1 UNL1 -0.1431 13 C 3.9992 -0.1932 -0.0454 C.ar 1 UNL1 -0.1588 14 H -3.3374 -1.8946 0.1629 H 1 UNL1 0.1737 15 H -4.5527 -0.7271 -0.3969 H 1 UNL1 0.1492 16 H -3.2610 -1.2867 -1.4812 H 1 UNL1 0.1702 17 H -2.2860 1.3331 1.8574 H 1 UNL1 0.1580 18 H -2.7101 -0.3588 2.1441 H 1 UNL1 0.1681 19 H -3.9486 0.7859 1.6165 H 1 UNL1 0.1608 20 H -2.4513 1.1887 -1.9076 H 1 UNL1 0.1680 21 H -3.8766 1.6290 -0.9627 H 1 UNL1 0.1618 22 H -2.2989 2.2765 -0.5191 H 1 UNL1 0.1562 23 H -0.4321 1.6221 0.4037 H 1 UNL1 0.1757 24 H 1.7626 2.3609 -0.1768 H 1 UNL1 0.1456 25 H 1.0593 -1.8638 0.3348 H 1 UNL1 0.1796 26 H 4.1962 1.9374 -0.2981 H 1 UNL1 0.1444 27 H 3.4942 -2.2706 0.2199 H 1 UNL1 0.1493 28 H 5.0692 -0.3765 -0.0998 H 1 UNL1 0.1464 @BOND 1 20 6 1 2 16 4 1 3 21 6 1 4 6 22 1 5 6 3 1 6 4 15 1 7 4 3 1 8 4 14 1 9 1 2 1 10 26 11 1 11 24 9 1 12 11 9 ar 13 11 13 ar 14 28 13 1 15 9 8 ar 16 2 3 1 17 2 7 1 18 13 12 ar 19 3 5 1 20 8 7 1 21 8 10 ar 22 12 10 ar 23 12 27 1 24 7 23 1 25 10 25 1 26 5 19 1 27 5 17 1 28 5 18 1