@MOLECULE 3,3,7,7,12,13,17,18-octaethyl-2,8-dimethyl-2,3,7,8-tetrahydroporphyrin 46 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.1043 1.5459 0.0538 N.pl3 1 UNL1 -0.2500 2 N -1.2436 -1.4740 -0.2225 N.2 1 UNL1 -0.2570 3 N 1.8827 1.4209 -0.2450 N.2 1 UNL1 -0.2280 4 N 1.7510 -1.5764 0.2808 N.ar 1 UNL1 -0.1908 5 C -3.1547 2.5538 -0.5357 C.2 1 UNL1 0.2756 6 C -3.2785 -2.4276 0.5933 C.2 1 UNL1 0.2908 7 C -2.0779 3.5534 -0.7505 C.2 1 UNL1 -0.6492 8 C -2.2082 -3.4600 0.5518 C.2 1 UNL1 -0.6569 9 C -2.3791 1.3152 -0.0452 C.2 1 UNL1 0.2041 10 C -2.5565 -1.1381 0.1939 C.2 1 UNL1 0.1636 11 C -4.4935 2.8746 0.0105 C.2 1 UNL1 -0.5768 12 C -4.3724 2.4289 -1.3602 C.2 1 UNL1 -0.5711 13 C -4.6765 -2.6837 0.1716 C.2 1 UNL1 -0.5760 14 C -4.3939 -2.4146 1.5634 C.2 1 UNL1 -0.5761 15 C -3.0816 0.0947 0.2725 C.2 1 UNL1 -0.2172 16 C -0.8088 2.8670 -0.4026 C.2 1 UNL1 0.2969 17 C -1.0212 -2.7405 0.0061 C.2 1 UNL1 0.2876 18 C -2.2143 4.8014 -1.1621 C.3 1 UNL1 0.5061 19 C -2.2871 -4.7216 0.9305 C.3 1 UNL1 0.5033 20 C -5.2218 3.2373 1.0227 C.2 1 UNL1 0.4301 21 C -4.9181 2.0854 -2.4890 C.2 1 UNL1 0.4421 22 C -5.5230 -2.9238 -0.7840 C.2 1 UNL1 0.4338 23 C -4.8112 -2.2189 2.7793 C.2 1 UNL1 0.4408 24 C 0.4287 3.3930 -0.4966 C.2 1 UNL1 -0.2608 25 C 0.2235 -3.4365 -0.2765 C.2 1 UNL1 -0.1204 26 C 1.6487 2.7027 -0.1566 C.2 1 UNL1 0.1736 27 C 1.4518 -2.9036 -0.1600 C.ar 1 UNL1 0.0725 28 C 2.8566 3.4730 0.3411 C.2 1 UNL1 0.1754 29 C 2.7292 -3.5999 -0.5139 C.ar 1 UNL1 0.1935 30 C 3.1942 1.1319 0.2416 C.2 1 UNL1 0.0714 31 C 3.0236 -1.3372 0.1222 C.ar 1 UNL1 0.1282 32 C 3.8955 2.4137 0.5582 C.2 1 UNL1 0.1975 33 C 3.7839 -2.5422 -0.3876 C.ar 1 UNL1 0.1797 34 C 3.7127 -0.0967 0.4100 C.2 1 UNL1 -0.0983 35 C 2.9682 4.7618 0.5246 C.1 1 UNL1 -0.6187 36 C 2.8865 -4.8588 -0.8340 C.1 1 UNL1 -0.6325 37 C 5.1445 2.5721 0.9160 C.1 1 UNL1 -0.6321 38 C 5.0629 -2.6272 -0.6362 C.1 1 UNL1 -0.6227 39 C 3.0926 6.0290 0.7216 C.1 1 UNL1 0.3790 40 C 3.0679 -6.0939 -1.1523 C.1 1 UNL1 0.3840 41 C 6.3725 2.7447 1.2628 C.1 1 UNL1 0.3788 42 C 6.3257 -2.7088 -0.8882 C.1 1 UNL1 0.3987 43 H -4.1247 0.2249 0.5905 H 1 UNL1 0.1879 44 H 0.5689 4.4253 -0.8299 H 1 UNL1 0.1778 45 H 0.1167 -4.4737 -0.6212 H 1 UNL1 0.1782 46 H 4.7453 -0.2091 0.7708 H 1 UNL1 0.1835 @BOND 1 21 12 2 2 12 5 1 3 12 11 1 4 18 7 1 5 40 36 3 6 42 38 3 7 36 29 1 8 44 24 1 9 22 13 2 10 7 5 2 11 7 16 1 12 38 33 1 13 45 25 1 14 5 9 1 15 5 11 1 16 29 33 ar 17 29 27 ar 18 24 16 2 19 24 26 1 20 16 1 1 21 33 31 ar 22 25 27 1 23 25 17 2 24 3 26 2 25 3 30 1 26 2 17 1 27 2 10 2 28 27 4 ar 29 26 28 1 30 9 1 1 31 9 15 2 32 17 8 1 33 11 20 2 34 31 4 ar 35 31 34 1 36 13 6 1 37 13 14 1 38 10 15 1 39 10 6 1 40 30 34 2 41 30 32 1 42 15 43 1 43 28 35 1 44 28 32 2 45 34 46 1 46 35 39 3 47 8 6 2 48 8 19 1 49 32 37 1 50 6 14 1 51 37 41 3 52 14 23 2