@MOLECULE [dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-22,24-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoatato(4-)]iron 45 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.1510 2.5026 3.2957 C.2 1 UNL1 0.4783 2 O -0.3487 3.4605 2.9254 O.2 1 UNL1 -0.4780 3 C -5.5458 2.6319 2.2670 C.1 1 UNL1 0.6279 4 O -6.5683 2.7528 2.7903 O.3 1 UNL1 -0.2133 5 C -4.3818 2.5093 1.7115 C.1 1 UNL1 -0.5511 6 C -3.2736 2.3358 1.1336 C.3 1 UNL1 0.3671 7 C -2.1203 2.1391 0.5201 C.ar 1 UNL1 -0.1826 8 C -1.1177 3.1421 0.1340 C.ar 1 UNL1 -0.5147 9 C -1.1274 4.4504 0.3924 C.3 1 UNL1 0.5447 10 C -0.0912 2.4263 -0.5940 C.ar 1 UNL1 0.3107 11 C 0.9137 2.7243 -1.4037 C.2 1 UNL1 -0.2004 12 C 2.0076 2.0824 -1.7438 C.ar 1 UNL1 0.1105 13 C 3.0274 2.1776 -2.8045 C.ar 1 UNL1 0.4236 14 C 2.9762 2.9369 -3.8787 C.1 1 UNL1 -0.7396 15 C 2.8524 3.6981 -4.8983 C.1 1 UNL1 0.3581 16 C 4.1111 1.2728 -2.3928 C.ar 1 UNL1 -0.6336 17 C 5.2509 1.0820 -3.0605 C.3 1 UNL1 0.6088 18 C 3.7206 0.6723 -1.1343 C.ar 1 UNL1 0.3030 19 C 4.3069 -0.0256 -0.1750 C.2 1 UNL1 -0.1918 20 C 3.8454 -0.8209 0.7639 C.ar 1 UNL1 0.1158 21 N 2.4972 -1.2978 0.5046 N.ar 1 UNL1 -0.5721 22 C 2.3144 -2.4169 1.4152 C.ar 1 UNL1 0.3368 23 C 1.2885 -3.1866 1.1137 C.2 1 UNL1 -0.3871 24 C 0.2064 -2.9633 0.3920 C.ar 1 UNL1 0.3453 25 C -0.7947 -3.7833 -0.2757 C.ar 1 UNL1 -0.5169 26 C -0.6932 -5.0944 -0.4667 C.3 1 UNL1 0.5032 27 C -1.8867 -2.8796 -0.6543 C.ar 1 UNL1 -0.1546 28 C -3.0203 -3.1532 -1.2703 C.3 1 UNL1 0.3683 29 C -4.1171 -3.3824 -1.8597 C.1 1 UNL1 -0.5492 30 C -5.2420 -3.5683 -2.4635 C.1 1 UNL1 0.6000 31 O -6.2527 -3.7377 -3.0027 O.3 1 UNL1 -0.2374 32 O -6.2870 0.8551 0.4484 O.2 2 UNL2 -0.4856 33 C -6.0698 0.1446 -0.4195 C.2 2 UNL2 0.4868 34 C -1.5133 -1.5439 -0.2029 C.ar 1 UNL1 0.2902 35 C -2.1123 -0.3783 -0.0635 C.2 1 UNL1 -0.3240 36 C -1.6394 0.8477 0.0565 C.ar 1 UNL1 0.3078 37 N -0.2866 0.9933 -0.4634 N.ar 1 UNL1 -0.5525 38 FE 1.1067 -0.2124 -0.1243 Fe 1 UNL1 1.1228 39 N -0.1343 -1.5571 0.2610 N.ar 1 UNL1 -0.5615 40 N 2.3491 1.0131 -0.8145 N.ar 1 UNL1 -0.5588 41 C 3.3798 -2.4308 2.4028 C.ar 1 UNL1 -0.6433 42 C 3.4635 -3.2295 3.4667 C.3 1 UNL1 0.5989 43 C 4.3720 -1.4267 2.0019 C.ar 1 UNL1 0.4243 44 C 5.5197 -1.1423 2.5815 C.1 1 UNL1 -0.7427 45 C 6.6498 -0.8098 3.0775 C.1 1 UNL1 0.3576 @BOND 1 15 14 3 2 14 13 1 3 17 16 1 4 31 30 1 5 13 16 ar 6 13 12 ar 7 30 29 3 8 16 18 ar 9 29 28 1 10 12 11 2 11 12 40 ar 12 11 10 1 13 28 27 1 14 18 40 ar 15 18 19 2 16 40 38 1 17 27 25 ar 18 27 34 ar 19 10 37 ar 20 10 8 ar 21 26 25 1 22 37 38 1 23 37 36 ar 24 33 32 2 25 25 24 ar 26 34 35 1 27 34 39 ar 28 19 20 1 29 38 39 1 30 38 21 1 31 35 36 2 32 36 7 ar 33 8 9 1 34 8 7 ar 35 39 24 ar 36 24 23 1 37 21 20 ar 38 21 22 ar 39 7 6 1 40 20 43 ar 41 23 22 2 42 6 5 1 43 22 41 ar 44 5 3 3 45 43 41 ar 46 43 44 1 47 3 4 1 48 41 42 1 49 44 45 3 50 2 1 2