@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-)]iron(2+) 43 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.5512 -4.0115 -2.2787 C.3 1 UNL1 0.6086 2 C -1.3765 -2.9490 -1.4912 C.ar 1 UNL1 -0.6485 3 C -2.3400 -1.8549 -1.3127 C.ar 1 UNL1 0.4242 4 C -3.5287 -1.7161 -1.8551 C.1 1 UNL1 -0.7258 5 C -4.7140 -1.5458 -2.3098 C.1 1 UNL1 0.3708 6 C -6.8911 -1.5295 -0.0908 C.1 1 UNL1 0.6724 7 O -7.9047 -0.9627 0.0308 O.2 1 UNL1 -0.3306 8 O -5.8915 -2.1279 -0.1974 O.2 1 UNL1 -0.3357 9 C -1.7108 -0.9341 -0.3447 C.ar 1 UNL1 0.0979 10 C -2.0733 0.0943 0.3949 C.2 1 UNL1 -0.0618 11 C -1.4204 1.0562 1.0155 C.ar 1 UNL1 0.1047 12 N -0.1050 1.2683 0.4433 N.ar 1 UNL1 -0.5383 13 C 0.3101 2.5670 0.9426 C.ar 1 UNL1 0.3075 14 C 1.3230 3.0647 0.2527 C.2 1 UNL1 -0.1840 15 C 2.2786 2.5189 -0.4655 C.ar 1 UNL1 0.1232 16 C 3.2531 2.9598 -1.4835 C.ar 1 UNL1 0.4177 17 C 3.2840 4.1294 -2.0848 C.1 1 UNL1 -0.7388 18 C 3.2454 5.2839 -2.6357 C.1 1 UNL1 0.3684 19 C 4.1824 1.8332 -1.6557 C.ar 1 UNL1 -0.6327 20 C 5.2309 1.8215 -2.4828 C.3 1 UNL1 0.6133 21 C 3.7620 0.7805 -0.7559 C.ar 1 UNL1 0.2968 22 C 4.2641 -0.3443 -0.2730 C.2 1 UNL1 -0.1798 23 C 3.7193 -1.4117 0.2664 C.ar 1 UNL1 0.1125 24 C 4.1733 -2.5674 1.0649 C.ar 1 UNL1 0.4240 25 C 5.3579 -2.7193 1.6179 C.1 1 UNL1 -0.7386 26 C 6.5270 -2.7956 2.1309 C.1 1 UNL1 0.3643 27 C 3.0442 -3.5056 1.0776 C.ar 1 UNL1 -0.6478 28 C 3.0215 -4.6876 1.6966 C.3 1 UNL1 0.6128 29 C 1.9725 -2.9204 0.2948 C.ar 1 UNL1 0.3374 30 N 2.3024 -1.5422 -0.0384 N.ar 1 UNL1 -0.5566 31 FE 1.0869 -0.1278 0.0385 Fe 1 UNL1 1.1325 32 N -0.3407 -1.3340 -0.0855 N.ar 1 UNL1 -0.5514 33 C -0.2311 -2.6744 -0.6453 C.ar 1 UNL1 0.3447 34 C 0.8307 -3.3300 -0.2210 C.2 1 UNL1 -0.3566 35 N 2.4790 1.1094 -0.1622 N.ar 1 UNL1 -0.5479 36 C -0.5628 2.9927 2.0176 C.ar 1 UNL1 -0.6345 37 C -0.4167 4.0723 2.7911 C.3 1 UNL1 0.6175 38 C -1.6796 2.0413 2.0861 C.ar 1 UNL1 0.4386 39 C -2.7147 2.0528 2.8984 C.1 1 UNL1 -0.7487 40 C -3.7403 2.0066 3.6618 C.1 1 UNL1 0.3684 41 C -4.5159 2.0459 -0.5376 C.1 2 UNL2 0.6627 42 O -5.4417 1.3399 -0.6293 O.2 2 UNL2 -0.3273 43 O -3.6007 2.7657 -0.4412 O.2 2 UNL2 -0.3356 @BOND 1 18 17 3 2 20 19 1 3 5 4 3 4 1 2 1 5 17 16 1 6 4 3 1 7 19 16 ar 8 19 21 ar 9 2 3 ar 10 2 33 ar 11 16 15 ar 12 3 9 ar 13 21 22 1 14 21 35 ar 15 33 34 2 16 33 32 ar 17 42 41 2 18 41 43 2 19 15 35 ar 20 15 14 1 21 9 32 ar 22 9 10 2 23 22 23 2 24 34 29 1 25 8 6 2 26 35 31 1 27 6 7 2 28 32 31 1 29 30 31 1 30 30 23 ar 31 30 29 ar 32 31 12 1 33 14 13 2 34 23 24 ar 35 29 27 ar 36 10 11 1 37 12 13 ar 38 12 11 ar 39 13 36 ar 40 11 38 ar 41 24 27 ar 42 24 25 1 43 27 28 1 44 25 26 3 45 36 38 ar 46 36 37 1 47 38 39 1 48 39 40 3