@MOLECULE [3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphyrindiyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]manganese(4+) 43 31 0 0 0 SMALL GASTEIGER @ATOM 1 MN 21.2060 45.5780 0.0000 Mn 1 UNL1 0.0000 2 C 22.9790 44.5340 0.0000 C.3 2 UNL2 0.0000 3 C 20.0610 47.9830 0.0000 C.3 3 UNL3 0.0000 4 C 19.9970 47.3770 0.0000 C.3 3 UNL3 0.0000 5 C 22.8800 43.8180 0.0000 C.2 4 UNL4 0.0000 6 N 21.5130 46.2480 0.0000 N.3 5 UNL5 0.0000 7 C 22.1710 45.5240 0.0000 C.3 5 UNL5 0.0000 8 C 21.7860 46.0010 0.0000 C.3 5 UNL5 0.0000 9 C 20.9380 47.0450 0.0000 C.2 5 UNL5 0.0000 10 C 20.7560 47.1360 0.0000 C.3 6 UNL6 0.0000 11 C 20.2440 47.9350 0.0000 C.1 4 UNL4 0.0000 12 C 22.4180 45.3510 0.0000 C.1 5 UNL5 0.0000 13 C 21.3970 44.3810 0.0000 C.2 5 UNL5 0.0000 14 C 21.4910 43.8120 0.0000 C.2 5 UNL5 0.0000 15 O 22.5780 43.8590 0.0000 O.3 4 UNL4 0.0000 16 O 20.4110 43.2320 0.0000 O.3 7 HOH7 0.0000 17 N 20.1060 47.5510 0.0000 N.1 4 UNL4 0.0000 18 C 19.6810 48.4490 0.0000 C.2 3 UNL3 0.0000 19 C 18.8390 49.5400 0.0000 C.3 8 UNL8 0.0000 20 C 18.8450 49.2300 0.0000 C.2 3 UNL3 0.0000 21 C 19.5820 48.0390 0.0000 C.3 3 UNL3 0.0000 22 C 18.1980 50.5770 0.0000 C.2 8 UNL8 0.0000 23 C 18.0620 50.0720 0.0000 C.3 8 UNL8 0.0000 24 C 17.5680 51.4560 0.0000 C.2 8 UNL8 0.0000 25 N 21.4350 45.6040 0.0000 N.3 5 UNL5 0.0000 26 C 20.7620 46.3300 0.0000 C.2 5 UNL5 0.0000 27 C 21.0490 45.8200 0.0000 C.3 5 UNL5 0.0000 28 C 21.8860 44.7840 0.0000 C.3 5 UNL5 0.0000 29 C 22.1340 44.6420 0.0000 C.1 5 UNL5 0.0000 30 C 20.4030 46.3610 0.0000 C.3 9 UNL9 0.0000 31 C 22.3940 43.8090 0.0000 C.2 4 UNL4 0.0000 32 C 23.8090 43.4360 0.0000 C.2 4 UNL4 0.0000 33 N 22.9300 44.3180 0.0000 N.pl3 4 UNL4 0.0000 34 C 23.3610 43.4490 0.0000 C.3 4 UNL4 0.0000 35 C 24.4030 42.5690 0.0000 C.3 7 HOH7 0.0000 36 C 24.4320 42.8610 0.0000 C.2 4 UNL4 0.0000 37 C 23.4770 43.8920 0.0000 C.3 4 UNL4 0.0000 38 C 25.1710 41.5460 0.0000 C.3 7 HOH7 0.0000 39 C 25.2460 42.1980 0.0000 C.3 7 HOH7 0.0000 40 C 26.5780 42.8990 0.0000 C.3 10 UNL10 0.0000 41 C 27.3750 42.4110 0.0000 C.2 10 UNL10 0.0000 42 O 27.2550 41.2790 0.0000 O.co2 10 UNL10 0.0000 43 O 27.9380 43.3160 0.0000 O.co2 10 UNL10 0.0000 @BOND 1 3 21 1 2 4 21 1 3 5 31 2 4 5 33 1 5 5 37 1 6 6 27 1 7 7 8 1 8 8 25 1 9 9 26 2 10 11 17 3 11 12 29 3 12 13 14 2 13 13 28 1 14 15 34 1 15 18 20 2 16 18 21 1 17 19 23 1 18 22 23 1 19 22 24 2 20 25 27 1 21 25 28 1 22 26 27 1 23 32 34 1 24 32 36 2 25 32 37 1 26 34 37 1 27 35 39 1 28 38 39 1 29 40 41 1 30 41 42 ar 31 41 43 ar