@MOLECULE cdp 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.1880 1.6425 -0.1920 P.3 1 UNL1 0.3758 2 P 4.4464 -0.3944 0.1975 P.3 1 UNL1 0.3817 3 O -1.0650 -0.8892 -1.2702 O.3 1 UNL1 -0.3973 4 O -0.3957 -3.7255 -0.3440 O.3 1 UNL1 -0.5338 5 O -2.9054 -3.2876 0.3850 O.3 1 UNL1 -0.5565 6 O 0.8773 0.7850 -0.4171 O.3 1 UNL1 -0.1818 7 O -4.7663 -1.3169 0.3029 O.2 1 UNL1 -0.5468 8 O 3.4490 0.6989 -0.3623 O.3 1 UNL1 -0.2539 9 O 2.0896 2.0905 1.3306 O.3 1 UNL1 -0.3818 10 O 2.2958 2.6598 -1.2179 O.2 1 UNL1 -0.1786 11 O 5.5902 -0.2009 -0.8823 O.3 1 UNL1 -0.2785 12 O 4.9928 0.3646 1.5008 O.3 1 UNL1 -0.4303 13 O 4.0146 -1.7661 0.3546 O.2 1 UNL1 -0.2410 14 N -3.0472 0.0004 -0.3895 N.ar 1 UNL1 -0.5249 15 N -5.1013 0.9552 0.4544 N.ar 1 UNL1 -0.6225 16 N -5.3574 3.2376 0.5736 N.pl3 1 UNL1 -0.5816 17 C -0.6130 -2.5484 0.3856 C.3 1 UNL1 0.0830 18 C -2.1047 -2.1462 0.4927 C.3 1 UNL1 0.0340 19 C -0.0156 -1.3714 -0.4244 C.3 1 UNL1 0.0496 20 C -2.3232 -1.2355 -0.7567 C.3 1 UNL1 0.2283 21 C 0.4388 -0.2354 0.5051 C.3 1 UNL1 -0.0836 22 C -2.5243 1.2386 -0.6211 C.ar 1 UNL1 0.2126 23 C -4.3940 -0.1705 0.1541 C.ar 1 UNL1 0.7279 24 C -3.2552 2.3613 -0.3103 C.ar 1 UNL1 -0.4998 25 C -4.5674 2.1758 0.2357 C.ar 1 UNL1 0.5075 26 H -0.1262 -2.7144 1.3667 H 1 UNL1 0.1491 27 H -2.3321 -1.6318 1.4494 H 1 UNL1 0.1464 28 H 0.7716 -1.6890 -1.1460 H 1 UNL1 0.1966 29 H -2.8711 -1.7511 -1.5856 H 1 UNL1 0.1738 30 H 1.1700 -0.6117 1.2472 H 1 UNL1 0.1555 31 H -0.4141 0.2156 1.0554 H 1 UNL1 0.1339 32 H -1.2545 -4.1689 -0.5448 H 1 UNL1 0.3477 33 H -3.8589 -2.9889 0.3884 H 1 UNL1 0.3742 34 H -1.5077 1.3032 -1.0566 H 1 UNL1 0.2108 35 H -2.8547 3.3513 -0.4751 H 1 UNL1 0.1895 36 H 3.0324 2.1496 1.7286 H 1 UNL1 0.3351 37 H -6.2780 3.0810 0.9421 H 1 UNL1 0.3255 38 H -5.0583 4.1753 0.4278 H 1 UNL1 0.3113 39 H 5.6718 0.8034 -1.1120 H 1 UNL1 0.3220 40 H 5.3677 -0.3147 2.1569 H 1 UNL1 0.3209 @BOND 1 29 20 1 2 3 20 1 3 3 19 1 4 10 1 2 5 28 19 1 6 39 11 1 7 34 22 1 8 11 2 1 9 20 14 1 10 20 18 1 11 22 14 ar 12 22 24 ar 13 32 4 1 14 35 24 1 15 19 17 1 16 19 21 1 17 6 1 1 18 6 21 1 19 14 23 ar 20 8 1 1 21 8 2 1 22 4 17 1 23 24 25 ar 24 1 9 1 25 23 7 2 26 23 15 ar 27 2 13 2 28 2 12 1 29 25 15 ar 30 25 16 1 31 5 33 1 32 5 18 1 33 17 18 1 34 17 26 1 35 38 16 1 36 18 27 1 37 21 31 1 38 21 30 1 39 16 37 1 40 9 36 1 41 12 40 1