@MOLECULE 6,15-dimethyl-9,18-dihydrotribenzo[c,f,j]naphtho[1,2,3,4-lmn][2,7]phenanthroline 54 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.8062 2.9205 0.2502 N.ar 1 UNL1 -0.3950 2 N 0.8063 -2.9205 0.2502 N.ar 1 UNL1 -0.3950 3 C -0.4752 0.5375 0.0085 C.ar 1 UNL1 -0.0906 4 C 0.4752 -0.5375 0.0085 C.ar 1 UNL1 -0.0906 5 C -1.8470 0.2965 0.0592 C.ar 1 UNL1 0.0450 6 C 1.8470 -0.2965 0.0592 C.ar 1 UNL1 0.0450 7 C 0.0073 1.8888 0.0587 C.ar 1 UNL1 0.2063 8 C -0.0073 -1.8888 0.0586 C.ar 1 UNL1 0.2063 9 C -2.3181 -1.0435 -0.2742 C.ar 1 UNL1 0.0121 10 C 2.3181 1.0435 -0.2742 C.ar 1 UNL1 0.0122 11 C 1.4277 2.1317 -0.1877 C.ar 1 UNL1 -0.0445 12 C -1.4277 -2.1317 -0.1878 C.ar 1 UNL1 -0.0445 13 C -2.6987 1.3755 0.4362 C.ar 1 UNL1 -0.0834 14 C 2.6987 -1.3755 0.4362 C.ar 1 UNL1 -0.0834 15 C -2.1341 2.6814 0.4781 C.ar 1 UNL1 0.1755 16 C 2.1341 -2.6814 0.4780 C.ar 1 UNL1 0.1755 17 C -3.6127 -1.2743 -0.7566 C.ar 1 UNL1 -0.2047 18 C 3.6127 1.2742 -0.7566 C.ar 1 UNL1 -0.2047 19 C 1.8916 3.4342 -0.4201 C.ar 1 UNL1 -0.0794 20 C -1.8916 -3.4342 -0.4202 C.ar 1 UNL1 -0.0794 21 C -4.0601 -2.5667 -1.0172 C.ar 1 UNL1 0.0770 22 C 4.0601 2.5666 -1.0173 C.ar 1 UNL1 0.0770 23 C -4.0512 1.2294 0.8494 C.ar 1 UNL1 -0.1318 24 C 4.0512 -1.2294 0.8495 C.ar 1 UNL1 -0.1317 25 C 3.2024 3.6546 -0.8134 C.ar 1 UNL1 -0.1978 26 C -3.2024 -3.6546 -0.8135 C.ar 1 UNL1 -0.1978 27 C -2.9556 3.8118 0.7776 C.ar 1 UNL1 -0.1523 28 C 2.9556 -3.8119 0.7776 C.ar 1 UNL1 -0.1523 29 C -4.8178 2.3217 1.1604 C.ar 1 UNL1 -0.1589 30 C 4.8177 -2.3217 1.1605 C.ar 1 UNL1 -0.1589 31 C -4.2731 3.6305 1.0953 C.ar 1 UNL1 -0.1339 32 C 4.2731 -3.6305 1.0954 C.ar 1 UNL1 -0.1339 33 C -5.4479 -2.7778 -1.5182 C.3 1 UNL1 -0.4623 34 C 5.4479 2.7778 -1.5184 C.3 1 UNL1 -0.4623 35 H -4.2730 -0.4328 -0.9659 H 1 UNL1 0.1665 36 H 4.2730 0.4328 -0.9659 H 1 UNL1 0.1665 37 H 1.1999 4.2745 -0.3023 H 1 UNL1 0.1798 38 H -1.1998 -4.2746 -0.3024 H 1 UNL1 0.1798 39 H -4.4652 0.2258 0.9598 H 1 UNL1 0.1643 40 H 4.4652 -0.2257 0.9598 H 1 UNL1 0.1644 41 H 3.5565 4.6679 -0.9858 H 1 UNL1 0.1536 42 H -3.5565 -4.6679 -0.9859 H 1 UNL1 0.1536 43 H -2.4944 4.7996 0.7544 H 1 UNL1 0.1730 44 H 2.4944 -4.7997 0.7544 H 1 UNL1 0.1730 45 H -5.8524 2.2024 1.4769 H 1 UNL1 0.1522 46 H 5.8524 -2.2023 1.4770 H 1 UNL1 0.1522 47 H -4.9161 4.4794 1.3215 H 1 UNL1 0.1508 48 H 4.9161 -4.4794 1.3216 H 1 UNL1 0.1508 49 H -6.1946 -2.4009 -0.8034 H 1 UNL1 0.1609 50 H 6.1947 2.3981 -0.8052 H 1 UNL1 0.1609 51 H -5.6149 -2.2481 -2.4687 H 1 UNL1 0.1637 52 H 5.6827 3.8355 -1.6949 H 1 UNL1 0.1538 53 H -5.6816 -3.8353 -1.6973 H 1 UNL1 0.1538 54 H 5.6135 2.2507 -2.4707 H 1 UNL1 0.1638 @BOND 1 54 34 1 2 51 33 1 3 53 33 1 4 52 34 1 5 34 22 1 6 34 50 1 7 33 21 1 8 33 49 1 9 22 25 ar 10 22 18 ar 11 21 26 ar 12 21 17 ar 13 42 26 1 14 41 25 1 15 36 18 1 16 35 17 1 17 26 20 ar 18 25 19 ar 19 17 9 ar 20 18 10 ar 21 20 38 1 22 20 12 ar 23 19 37 1 24 19 11 ar 25 10 11 ar 26 10 6 ar 27 9 12 ar 28 9 5 ar 29 12 8 ar 30 11 7 ar 31 3 4 ar 32 3 7 ar 33 3 5 ar 34 4 8 ar 35 4 6 ar 36 8 2 ar 37 7 1 ar 38 5 13 ar 39 6 14 ar 40 1 15 ar 41 2 16 ar 42 14 16 ar 43 14 24 ar 44 13 15 ar 45 13 23 ar 46 16 28 ar 47 15 27 ar 48 44 28 1 49 43 27 1 50 28 32 ar 51 27 31 ar 52 23 39 1 53 23 29 ar 54 24 40 1 55 24 30 ar 56 31 29 ar 57 31 47 1 58 32 30 ar 59 32 48 1 60 29 45 1 61 30 46 1