@MOLECULE 1-nitronaphtho[2,1,8-mna]acridine 6-oxide 34 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4053 2.3004 0.0350 O.2 1 UNL1 -0.4283 2 O 5.3941 -0.9709 -0.4815 O.2 1 UNL1 -0.4061 3 O 4.0475 -2.2824 0.5553 O.2 1 UNL1 -0.4074 4 N -2.6248 1.3349 0.0160 N.ar 1 UNL1 0.3754 5 N 4.3088 -1.2156 0.0239 N.pl3 1 UNL1 0.6350 6 C -0.3888 0.4097 -0.0027 C.ar 1 UNL1 0.0624 7 C 1.0239 0.6488 0.0022 C.ar 1 UNL1 -0.0670 8 C -0.8910 -0.8948 -0.0287 C.ar 1 UNL1 -0.1103 9 C -1.2777 1.5295 0.0182 C.ar 1 UNL1 -0.1326 10 C 1.9219 -0.4485 -0.0092 C.ar 1 UNL1 0.0907 11 C 1.5159 1.9821 0.0178 C.ar 1 UNL1 0.1023 12 C -2.3099 -1.0899 -0.0273 C.ar 1 UNL1 0.0626 13 C -3.1651 0.0330 -0.0056 C.ar 1 UNL1 -0.0630 14 C 0.0325 -1.9820 -0.0608 C.ar 1 UNL1 -0.0797 15 C 1.3782 -1.7705 -0.0538 C.ar 1 UNL1 -0.1834 16 C -0.7511 2.8726 0.0402 C.ar 1 UNL1 -0.0478 17 C 0.5835 3.0845 0.0387 C.ar 1 UNL1 -0.2170 18 C 3.3070 -0.1640 0.0045 C.ar 1 UNL1 -0.1335 19 C 2.8908 2.2145 0.0104 C.ar 1 UNL1 -0.2215 20 C -2.9141 -2.3718 -0.0460 C.ar 1 UNL1 -0.1805 21 C 3.7819 1.1461 -0.0001 C.ar 1 UNL1 -0.0436 22 C -4.5752 -0.1181 -0.0046 C.ar 1 UNL1 -0.0834 23 C -4.2826 -2.5106 -0.0445 C.ar 1 UNL1 -0.0883 24 C -5.1242 -1.3766 -0.0241 C.ar 1 UNL1 -0.1717 25 H -0.3580 -3.0016 -0.0928 H 1 UNL1 0.1608 26 H 2.0597 -2.6264 -0.0790 H 1 UNL1 0.1925 27 H -1.4729 3.6975 0.0570 H 1 UNL1 0.1860 28 H 0.9948 4.0936 0.0538 H 1 UNL1 0.1689 29 H 3.2718 3.2352 0.0132 H 1 UNL1 0.1706 30 H -2.2782 -3.2575 -0.0610 H 1 UNL1 0.1663 31 H 4.8623 1.3372 -0.0108 H 1 UNL1 0.1837 32 H -5.2028 0.7798 0.0119 H 1 UNL1 0.1880 33 H -4.7358 -3.5031 -0.0589 H 1 UNL1 0.1562 34 H -6.2048 -1.5127 -0.0236 H 1 UNL1 0.1635 @BOND 1 2 5 2 2 25 14 1 3 26 15 1 4 30 20 1 5 14 15 ar 6 14 8 ar 7 33 23 1 8 15 10 ar 9 20 23 ar 10 20 12 ar 11 23 24 ar 12 8 12 ar 13 8 6 ar 14 12 13 ar 15 24 34 1 16 24 22 ar 17 31 21 1 18 10 7 ar 19 10 18 ar 20 13 22 ar 21 13 4 ar 22 22 32 1 23 6 7 ar 24 6 9 ar 25 21 18 ar 26 21 19 ar 27 7 11 ar 28 18 5 1 29 19 29 1 30 19 11 ar 31 4 9 ar 32 4 1 2 33 11 17 ar 34 9 16 ar 35 5 3 2 36 17 16 ar 37 17 28 1 38 16 27 1