@MOLECULE 3,3'-(3,7,12,17-tetramethyl-2,18-porphyrindiyl)dipropanoic acid 42 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.1355 3.6324 -1.2782 O.2 1 UNL1 -0.3157 2 O -6.8260 -0.4093 -0.8325 O.2 1 UNL1 -0.3087 3 O -4.0811 3.3049 0.8454 O.3 1 UNL1 -0.3324 4 O -5.6386 -0.9758 1.1693 O.3 1 UNL1 -0.3173 5 N 1.4446 1.0482 0.1011 N.ar 1 UNL1 -0.1349 6 N 0.0224 -2.2716 0.0262 N.ar 1 UNL1 -0.1439 7 N 3.7858 0.5895 -0.0248 N.ar 1 UNL1 -0.1220 8 N 3.2235 -3.5331 -0.2171 N.2 1 UNL1 -0.2572 9 C -0.4876 2.3385 0.1474 C.1 1 UNL1 0.2398 10 C -2.2419 -2.2492 0.1224 C.1 1 UNL1 0.2109 11 C 0.0427 0.9531 0.1287 C.ar 1 UNL1 -0.0404 12 C -1.0255 -1.3944 0.1127 C.ar 1 UNL1 0.0144 13 C 0.6517 3.2574 0.2205 C.2 1 UNL1 -0.5949 14 C -1.8112 -3.6719 0.0487 C.2 1 UNL1 -0.5771 15 C 1.8295 2.4268 0.1533 C.ar 1 UNL1 0.2446 16 C -1.7478 2.7098 0.0763 C.1 1 UNL1 -0.2590 17 C -3.4755 -1.8076 0.1648 C.1 1 UNL1 -0.2104 18 C -0.3627 -3.6756 -0.0268 C.ar 1 UNL1 0.2090 19 C -0.9527 -0.0301 0.1647 C.ar 1 UNL1 -0.1354 20 C 4.1482 1.9117 0.0320 C.ar 1 UNL1 0.2138 21 C 3.1257 2.8681 0.1287 C.ar 1 UNL1 -0.3175 22 C 1.9092 -3.5725 -0.1474 C.ar 1 UNL1 0.1230 23 C 3.5930 -2.1701 -0.1651 C.ar 1 UNL1 0.0132 24 C 0.7524 -4.4626 -0.1291 C.ar 1 UNL1 -0.2412 25 C 4.9652 -0.2317 -0.1304 C.ar 1 UNL1 -0.2189 26 C 5.5714 1.9913 -0.0341 C.ar 1 UNL1 -0.6937 27 C -2.9815 3.0330 -0.0174 C.2 1 UNL1 0.0953 28 C -4.6615 -1.3253 0.1960 C.2 1 UNL1 0.0755 29 C 2.3873 -1.2789 -0.0555 C.ar 1 UNL1 -0.1732 30 C 0.5409 4.5808 0.3429 C.3 1 UNL1 0.5826 31 C -2.6251 -4.7232 0.0659 C.3 1 UNL1 0.5432 32 C 4.8472 -1.6360 -0.2017 C.ar 1 UNL1 0.0468 33 C 6.1074 0.5774 -0.1412 C.ar 1 UNL1 0.0953 34 C 1.3461 -2.1745 -0.0452 C.ar 1 UNL1 0.0170 35 C 6.6027 2.8156 -0.0418 C.3 1 UNL1 0.5907 36 C 2.4687 0.1076 0.0096 C.3 1 UNL1 0.2348 37 C -4.2608 3.3820 -0.5332 C.2 1 UNL1 0.5327 38 C -5.9279 -0.7975 -0.1807 C.2 1 UNL1 0.5372 39 H -1.9787 0.4130 0.2524 H 1 UNL1 0.2023 40 H 3.3740 3.9246 0.1764 H 1 UNL1 0.1925 41 H 0.8202 -5.5296 -0.1865 H 1 UNL1 0.1876 42 H 5.7514 -2.2473 -0.2827 H 1 UNL1 0.1921 @BOND 1 1 37 2 2 2 38 2 3 37 27 1 4 37 3 1 5 42 32 1 6 8 23 1 7 8 22 2 8 32 23 ar 9 32 25 ar 10 41 24 1 11 38 28 1 12 38 4 1 13 23 29 ar 14 22 24 ar 15 22 34 ar 16 33 25 ar 17 33 26 ar 18 25 7 ar 19 24 18 ar 20 29 34 ar 21 29 36 1 22 34 6 ar 23 35 26 1 24 26 20 ar 25 18 6 ar 26 18 14 1 27 7 36 1 28 7 20 ar 29 27 16 2 30 27 3 1 31 36 5 1 32 6 12 ar 33 20 21 ar 34 14 31 1 35 14 10 2 36 16 9 2 37 5 11 ar 38 5 15 ar 39 12 10 1 40 12 19 ar 41 10 17 2 42 21 15 ar 43 21 40 1 44 11 9 1 45 11 19 ar 46 9 13 2 47 15 13 1 48 19 39 1 49 17 28 2 50 28 4 1 51 13 30 1