[18]annulene dimer -- frag 1 C -0.882495 -2.835864 3.16 C 0.882495 2.835864 3.16 C -2.260955 -3.043415 3.16 C 2.260955 3.043415 3.16 C -3.218447 -2.006793 3.16 C 3.218447 2.006793 3.16 C -2.902039 -0.649542 3.16 C 2.902039 0.649542 3.16 C 0.131307 -3.792884 3.16 C -0.131307 3.792884 3.16 C 1.509356 -3.486758 3.16 C -1.509356 3.486758 3.16 C 2.020013 -2.189814 3.16 C -2.020013 2.189814 3.16 C -3.77284 0.438933 3.16 C 3.77284 -0.438933 3.16 C -3.354699 1.78702 3.16 C 3.354699 -1.78702 3.16 H -0.557214 -1.799789 3.16 H 0.557214 1.799789 3.16 H -2.626931 -4.069769 3.16 H 2.626931 4.069769 3.16 H -4.270549 -2.290626 3.16 H 4.270549 2.290626 3.16 H -1.843133 -0.408564 3.16 H 1.843133 0.408564 3.16 H -0.154217 -4.844483 3.16 H 0.154217 4.844483 3.16 H 2.213536 -4.318002 3.16 H -2.213536 4.318002 3.16 H 1.284285 -1.391788 3.16 H -1.284285 1.391788 3.16 H -4.844542 0.241402 3.16 H 4.844542 -0.241402 3.16 H -4.125953 2.55657 3.16 H 4.125953 -2.55657 3.16 -- frag 2 C -0.882495 -2.835864 0.000000 C 0.882495 2.835864 0.000000 C -2.260955 -3.043415 0.000000 C 2.260955 3.043415 0.000000 C -3.218447 -2.006793 0.000000 C 3.218447 2.006793 0.000000 C -2.902039 -0.649542 0.000000 C 2.902039 0.649542 0.000000 C 0.131307 -3.792884 0.000000 C -0.131307 3.792884 0.000000 C 1.509356 -3.486758 0.000000 C -1.509356 3.486758 0.000000 C 2.020013 -2.189814 0.000000 C -2.020013 2.189814 0.000000 C -3.772840 0.438933 0.000000 C 3.772840 -0.438933 0.000000 C -3.354699 1.787020 0.000000 C 3.354699 -1.787020 0.000000 H -0.557214 -1.799789 0.000000 H 0.557214 1.799789 0.000000 H -2.626931 -4.069769 0.000000 H 2.626931 4.069769 0.000000 H -4.270549 -2.290626 0.000000 H 4.270549 2.290626 0.000000 H -1.843133 -0.408564 0.000000 H 1.843133 0.408564 0.000000 H -0.154217 -4.844483 0.000000 H 0.154217 4.844483 0.000000 H 2.213536 -4.318002 0.000000 H -2.213536 4.318002 0.000000 H 1.284285 -1.391788 0.000000 H -1.284285 1.391788 0.000000 H -4.844542 0.241402 0.000000 H 4.844542 -0.241402 0.000000 H -4.125953 2.556570 0.000000 H 4.125953 -2.556570 0.000000 (COF1)_2(mesitylene) -- frag 1 C 2.55862 -2.86357 -3.4 C 3.79405 -2.17163 -3.4 C 2.57728 -4.27959 -3.4 C 5.00619 -2.87145 -3.4 H 3.78832 -1.07408 -3.4 C 3.78902 -4.97919 -3.4 H 1.62387 -4.82375 -3.4 C 5.02466 -4.28734 -3.4 H 5.95956 -2.32764 -3.4 H 3.79447 -6.07695 -3.4 B -1.20995 -2.08602 -3.4 B 1.20995 -2.08602 -3.4 B 0.0 0.0 -3.4 O 0.0 -2.76799 -3.4 O -1.19519 -0.69266 -3.4 O 1.19519 -0.69266 -3.4 C 7.58329 -11.56654 -3.4 C 6.36631 -10.84237 -3.4 C 8.80024 -10.8426 -3.4 C 6.36631 -9.44317 -3.4 H 5.41834 -11.39597 -3.4 C 8.80024 -9.44294 -3.4 H 9.74788 -11.39633 -3.4 C 7.58329 -8.719 -3.4 H 5.41834 -8.88958 -3.4 H 9.74788 -8.88921 -3.4 B 6.37238 -15.219 -3.4 B 8.7839 -15.21416 -3.4 B 7.58233 -13.1233 -3.4 O 7.58644 -15.90289 -3.4 O 6.38675 -13.83016 -3.4 O 8.78164 -13.83276 -3.4 O 6.38675 -6.45538 -3.4 O 7.58644 -4.38265 -3.4 B 6.37238 -5.06655 -3.4 B 8.7839 -5.07139 -3.4 B 7.58233 -7.16224 -3.4 O 8.78164 -6.45278 -3.4 C -5.02466 -15.9982 -3.4 C -3.78902 -15.30636 -3.4 C -5.00619 -17.41409 -3.4 C -2.57728 -16.00595 -3.4 H -3.79447 -14.20859 -3.4 C -3.79405 -18.11392 -3.4 H -5.95956 -17.9579 -3.4 C -2.55862 -17.42197 -3.4 H -1.62387 -15.46179 -3.4 H -3.78832 -19.21147 -3.4 C -7.58328 -11.56654 -3.4 C -8.80024 -10.8426 -3.4 C -6.36631 -10.84237 -3.4 C -8.80024 -9.44295 -3.4 H -9.74788 -11.39634 -3.4 C -6.36631 -9.44317 -3.4 H -5.41834 -11.39597 -3.4 C -7.58328 -8.719 -3.4 H -9.74788 -8.88921 -3.4 H -5.41834 -8.88958 -3.4 C -2.55862 -2.86357 -3.4 C -2.57728 -4.27959 -3.4 C -3.79405 -2.17163 -3.4 C -3.78902 -4.97919 -3.4 H -1.62387 -4.82376 -3.4 C -5.00619 -2.87145 -3.4 H -3.78832 -1.07408 -3.4 C -5.02466 -4.28734 -3.4 H -3.79447 -6.07695 -3.4 H -5.95956 -2.32764 -3.4 B -8.7839 -15.21416 -3.4 B -6.37238 -15.219 -3.4 B -7.58233 -13.1233 -3.4 O -7.58644 -15.9029 -3.4 O -8.78163 -13.83276 -3.4 O -6.38675 -13.83017 -3.4 O -8.78163 -6.45278 -3.4 O -7.58644 -4.38265 -3.4 B -8.7839 -5.07139 -3.4 B -6.37238 -5.06655 -3.4 B -7.58233 -7.16224 -3.4 O -6.38675 -6.45538 -3.4 C 5.02467 -15.9982 -3.4 C 5.00619 -17.41409 -3.4 C 3.78903 -15.30636 -3.4 C 3.79405 -18.11391 -3.4 H 5.95956 -17.9579 -3.4 C 2.57728 -16.00595 -3.4 H 3.79447 -14.20859 -3.4 C 2.55862 -17.42197 -3.4 H 3.78832 -19.21146 -3.4 H 1.62387 -15.46179 -3.4 O -1.19519 -19.59288 -3.4 O 0.0 -17.51756 -3.4 B -1.20995 -18.19953 -3.4 B 1.20995 -18.19952 -3.4 B 0.0 -20.28554 -3.4 O 1.19519 -19.59288 -3.4 H 0.0 1.20869 -3.4 H 9.83065 -15.8185 -3.4 H 9.83065 -4.46704 -3.4 H -9.83065 -15.8185 -3.4 H -9.83065 -4.46704 -3.4 H 0.0 -21.49423 -3.4 -- frag 2 C 2.5586200 -2.8635700 0.0000000 C 3.7940500 -2.1716300 0.0000000 C 2.5772800 -4.2795900 0.0000000 C 5.0061900 -2.8714500 0.0000000 H 3.7883200 -1.0740800 0.0000000 C 3.7890200 -4.9791900 0.0000000 H 1.6238700 -4.8237500 0.0000000 C 5.0246600 -4.2873400 0.0000000 H 5.9595600 -2.3276400 0.0000000 H 3.7944700 -6.0769500 0.0000000 B -1.2099500 -2.0860200 0.0000000 B 1.2099500 -2.0860200 0.0000000 B 0.0000000 0.0000000 0.0000000 O 0.0000000 -2.7679900 0.0000000 O -1.1951900 -0.6926600 0.0000000 O 1.1951900 -0.6926600 0.0000000 C 7.5832900 -11.5665400 0.0000000 C 6.3663100 -10.8423700 0.0000000 C 8.8002400 -10.8426000 0.0000000 C 6.3663100 -9.4431700 0.0000000 H 5.4183400 -11.3959700 0.0000000 C 8.8002400 -9.4429400 0.0000000 H 9.7478800 -11.3963300 0.0000000 C 7.5832900 -8.7190000 0.0000000 H 5.4183400 -8.8895800 0.0000000 H 9.7478800 -8.8892100 0.0000000 B 6.3723800 -15.2190000 0.0000000 B 8.7839000 -15.2141600 0.0000000 B 7.5823300 -13.1233000 0.0000000 O 7.5864400 -15.9028900 0.0000000 O 6.3867500 -13.8301600 0.0000000 O 8.7816400 -13.8327600 0.0000000 O 6.3867500 -6.4553800 0.0000000 O 7.5864400 -4.3826500 0.0000000 B 6.3723800 -5.0665500 0.0000000 B 8.7839000 -5.0713900 0.0000000 B 7.5823300 -7.1622400 0.0000000 O 8.7816400 -6.4527800 0.0000000 C -5.0246600 -15.9982000 0.0000000 C -3.7890200 -15.3063600 0.0000000 C -5.0061900 -17.4140900 0.0000000 C -2.5772800 -16.0059500 0.0000000 H -3.7944700 -14.2085900 0.0000000 C -3.7940500 -18.1139200 0.0000000 H -5.9595600 -17.9579000 0.0000000 C -2.5586200 -17.4219700 0.0000000 H -1.6238700 -15.4617900 0.0000000 H -3.7883200 -19.2114700 0.0000000 C -7.5832800 -11.5665400 0.0000000 C -8.8002400 -10.8426000 0.0000000 C -6.3663100 -10.8423700 0.0000000 C -8.8002400 -9.4429500 0.0000000 H -9.7478800 -11.3963400 0.0000000 C -6.3663100 -9.4431700 0.0000000 H -5.4183400 -11.3959700 0.0000000 C -7.5832800 -8.7190000 0.0000000 H -9.7478800 -8.8892100 0.0000000 H -5.4183400 -8.8895800 0.0000000 C -2.5586200 -2.8635700 0.0000000 C -2.5772800 -4.2795900 0.0000000 C -3.7940500 -2.1716300 0.0000000 C -3.7890200 -4.9791900 0.0000000 H -1.6238700 -4.8237600 0.0000000 C -5.0061900 -2.8714500 0.0000000 H -3.7883200 -1.0740800 0.0000000 C -5.0246600 -4.2873400 0.0000000 H -3.7944700 -6.0769500 0.0000000 H -5.9595600 -2.3276400 0.0000000 B -8.7839000 -15.2141600 0.0000000 B -6.3723800 -15.2190000 0.0000000 B -7.5823300 -13.1233000 0.0000000 O -7.5864400 -15.9029000 0.0000000 O -8.7816300 -13.8327600 0.0000000 O -6.3867500 -13.8301700 0.0000000 O -8.7816300 -6.4527800 0.0000000 O -7.5864400 -4.3826500 0.0000000 B -8.7839000 -5.0713900 0.0000000 B -6.3723800 -5.0665500 0.0000000 B -7.5823300 -7.1622400 0.0000000 O -6.3867500 -6.4553800 0.0000000 C 5.0246700 -15.9982000 0.0000000 C 5.0061900 -17.4140900 0.0000000 C 3.7890300 -15.3063600 0.0000000 C 3.7940500 -18.1139100 0.0000000 H 5.9595600 -17.9579000 0.0000000 C 2.5772800 -16.0059500 0.0000000 H 3.7944700 -14.2085900 0.0000000 C 2.5586200 -17.4219700 0.0000000 H 3.7883200 -19.2114600 0.0000000 H 1.6238700 -15.4617900 0.0000000 O -1.1951900 -19.5928800 0.0000000 O 0.0000000 -17.5175600 0.0000000 B -1.2099500 -18.1995300 0.0000000 B 1.2099500 -18.1995200 0.0000000 B 0.0000000 -20.2855400 0.0000000 O 1.1951900 -19.5928800 0.0000000 H 0.0000000 1.2086900 0.0000000 H 9.8306500 -15.8185000 0.0000000 H 9.8306500 -4.4670400 0.0000000 H -9.8306500 -15.8185000 0.0000000 H -9.8306500 -4.4670400 0.0000000 H 0.0000000 -21.4942300 0.0000000 C -1.1428300 -9.2318700 -1.6921000 C 0.1771800 -8.7750100 -1.5136900 C 0.4778300 -7.2906100 -1.4424800 C 1.2018900 -9.7294300 -1.3638700 H 2.2381300 -9.3876200 -1.2280000 C 0.9309100 -11.1109800 -1.3792000 C 2.0325500 -12.1353800 -1.1935700 C -0.4009000 -11.5305200 -1.5564900 H -0.6270500 -12.6073900 -1.5716300 C -1.4500600 -10.6056300 -1.7146500 C -2.8707200 -11.0896300 -1.9260100 H 0.3202300 -6.9071200 -0.4123700 H -0.1837700 -6.7053800 -2.1099600 H 1.5264600 -7.0683400 -1.7182100 H 2.0583200 -12.8632900 -2.0293400 H 1.8715500 -12.7190200 -0.2649300 H 3.0301800 -11.6607900 -1.1246800 H -3.1419100 -11.8818400 -1.2006500 H -2.9934600 -11.5243800 -2.9396700 H -3.6044900 -10.2688500 -1.8238400 H -1.9542100 -8.4987900 -1.8100100 benzene dimer -- frag 1 C 1.2068995 -0.6968037 0.0 H 2.1436054 -1.2376112 0.0 C 1.2068995 0.6968037 0.0 H 2.1436054 1.2376112 0.0 C 0.0 1.3936075 0.0 H 0.0 2.4752223 0.0 C -1.2068995 0.6968037 0.0 H -2.1436054 1.2376112 0.0 C -1.2068995 -0.6968037 0.0 H -2.1436054 -1.2376112 0.0 C 0.0 -1.3936075 0.0 H 0.0 -2.4752223 0.0 -- frag 2 C 1.2068995 -0.6968037 3.4 H 2.1436054 -1.2376112 3.4 C 1.2068995 0.6968037 3.4 H 2.1436054 1.2376112 3.4 C 0.0 1.3936075 3.4 H 0.0 2.4752223 3.4 C -1.2068995 0.6968037 3.4 H -2.1436054 1.2376112 3.4 C -1.2068995 -0.6968037 3.4 H -2.1436054 -1.2376112 3.4 C 0.0 -1.3936075 3.4 H 0.0 -2.4752223 3.4 (3COF1) dimer -- frag 1 C -7.2790731 2.5585455 3.28 C -5.863188 2.5770232 3.28 C -7.9709207 3.7941861 3.28 C -5.1633616 3.7891581 3.28 H -5.3193741 1.6236523 3.28 C -7.2713219 5.0059267 3.28 H -9.0686835 3.7887418 3.28 C -5.855302 5.0245894 3.28 H -4.0658112 3.7948869 3.28 H -7.8154884 5.9593394 3.28 B -10.1539754 0.0008817 3.28 B -8.0582808 1.2108315 3.28 O -9.4471119 1.1964578 3.28 C -5.863188 12.5893966 3.28 C -7.2713219 10.1604931 3.28 H -5.3193741 13.5427675 3.28 H -7.8154884 9.2070804 3.28 B -8.0582808 13.9555883 3.28 O -7.3743811 15.1696519 3.28 O -5.7597188 7.5832099 3.28 O -3.6843915 6.3880174 3.28 B -2.9917334 7.5832099 3.28 B -5.0777513 8.7931597 3.28 H -5.3193741 -13.5427675 3.28 H -9.0686835 -11.377678 3.28 H -4.0658112 -11.3715329 3.28 B -10.1539754 -15.1655381 3.28 B -8.0582808 -13.9555883 3.28 B -8.0631192 -16.3671077 3.28 C -7.2790731 -2.5585455 3.28 C -7.9709207 -3.7941861 3.28 C -5.863188 -2.5770232 3.28 C -7.2713219 -5.0059267 3.28 H -9.0686835 -3.7887418 3.28 C -5.1633616 -3.7891581 3.28 H -5.3193741 -1.6236523 3.28 C -5.855302 -5.0245894 3.28 H -7.8154884 -5.9593394 3.28 H -4.0658112 -3.7948869 3.28 B -8.0582808 -1.2108315 3.28 O -9.4471119 -1.1964578 3.28 O -7.3743811 0.0032321 3.28 O -3.6843915 -8.7784024 3.28 B -5.0777513 -8.7931597 3.28 B -5.0777513 -6.3732601 3.28 C 5.8554318 -20.1910843 3.28 C 7.2713169 -20.1726066 3.28 C 5.1635842 -18.9554437 3.28 C 7.9711433 -18.9604717 3.28 H 7.8151308 -21.1259775 3.28 C 5.863183 -17.7437031 3.28 H 4.0658214 -18.960888 3.28 C 7.2792029 -17.7250404 3.28 H 9.0686937 -18.9547429 3.28 H 5.3190165 -16.7902904 3.28 B 2.9805295 -22.7487481 3.28 B 5.0762241 -21.5387983 3.28 B 5.0713857 -23.9503177 3.28 O 3.687393 -21.553172 3.28 O 3.6899896 -23.9480544 3.28 O 5.7601238 -22.7528619 3.28 C 5.8554318 -10.1417555 3.28 C 5.1635842 -11.3773961 3.28 C 5.863183 -12.5891367 3.28 H 7.8151308 -9.2068623 3.28 C 7.2792029 -12.6077994 3.28 H 9.0686937 -11.3780969 3.28 B 5.0762241 -8.7940415 3.28 O 3.6899896 -6.3847854 3.28 O 3.687393 -8.7796678 3.28 O 5.7601238 -7.5799779 3.28 O 7.3747861 -15.1664199 3.28 O 9.4501134 -16.3616124 3.28 B 8.0567536 -16.3763697 3.28 C -7.2792029 -12.6077994 3.28 C -5.863183 -12.5891367 3.28 C -7.9711433 -11.3723681 3.28 C -5.1635842 -11.3773961 3.28 C -7.2713169 -10.1602332 3.28 C -5.8554318 -10.1417555 3.28 H -7.8151308 -9.2068623 3.28 C -7.2792029 -17.7250404 3.28 C -7.9711433 -18.9604717 3.28 C -5.863183 -17.7437031 3.28 C -7.2713169 -20.1726066 3.28 H -9.0686937 -18.9547429 3.28 C -5.1635842 -18.9554437 3.28 H -5.3190165 -16.7902904 3.28 C -5.8554318 -20.1910843 3.28 H -7.8151308 -21.1259775 3.28 H -4.0658214 -18.960888 3.28 C 1.4237711 -22.7497048 3.28 C 0.6995988 -21.532727 3.28 C 0.6998264 -23.9666584 3.28 C -0.6995988 -21.532727 3.28 H 1.2531951 -20.5847586 3.28 C -0.6998264 -23.9666584 3.28 H 1.2535629 -24.9143005 3.28 C -1.4237711 -22.7497048 3.28 H -1.2531951 -20.5847586 3.28 H -1.2535629 -24.9143005 3.28 O -9.4501134 -13.9712274 3.28 O -9.4501134 -16.3616124 3.28 O -7.3747861 -15.1664199 3.28 O -5.7601238 -22.7528619 3.28 O -3.6899896 -23.9480544 3.28 B -5.0713857 -23.9503177 3.28 B -2.9805295 -22.7487481 3.28 B -5.0762241 -21.5387983 3.28 O -3.687393 -21.553172 3.28 C 1.4237711 -7.583135 3.28 C 0.6998264 -6.3661814 3.28 C 0.6995988 -8.8001128 3.28 C -0.6998264 -6.3661814 3.28 H 1.2535629 -5.4185393 3.28 C -0.6995988 -8.8001128 3.28 H 1.2531951 -9.7480812 3.28 C -1.4237711 -7.583135 3.28 H -1.2535629 -5.4185393 3.28 H -1.2531951 -9.7480812 3.28 O -5.7601238 -7.5799779 3.28 B -2.9805295 -7.5840917 3.28 O -3.6899896 -6.3847854 3.28 C 5.855302 -5.0245894 3.28 C 7.2713219 -5.0059267 3.28 C 5.1633616 -3.7891581 3.28 C 7.9709207 -3.7941861 3.28 H 7.8154884 -5.9593394 3.28 C 5.863188 -2.5770232 3.28 H 4.0658112 -3.7948869 3.28 C 7.2790731 -2.5585455 3.28 H 9.0686835 -3.7887418 3.28 H 5.3193741 -1.6236523 3.28 C 7.2713219 -10.1604931 3.28 H 4.0658112 -11.3715329 3.28 C 7.9709207 -11.3722337 3.28 H 5.3193741 -13.5427675 3.28 B 2.9917334 -7.5832099 3.28 B 5.0777513 -6.3732601 3.28 B 10.1539754 -15.1655381 3.28 B 8.0582808 -13.9555883 3.28 O 9.4471119 -13.969962 3.28 O 7.3743811 0.0032321 3.28 O 9.4471119 -1.1964578 3.28 B 10.1539754 -0.0008817 3.28 O 9.4445153 1.1984246 3.28 C 5.855302 10.1418304 3.28 C 7.2713219 10.1604931 3.28 C 5.1633616 11.3772617 3.28 C 7.9709207 11.3722337 3.28 H 7.8154884 9.2070804 3.28 C 5.863188 12.5893966 3.28 C 7.2790731 12.6078743 3.28 C 5.855302 5.0245894 3.28 C 5.1633616 3.7891581 3.28 C 7.2713219 5.0059267 3.28 C 5.863188 2.5770232 3.28 H 4.0658112 3.7948869 3.28 C 7.9709207 3.7941861 3.28 H 7.8154884 5.9593394 3.28 C 7.2790731 2.5585455 3.28 H 5.3193741 1.6236523 3.28 H 9.0686835 3.7887418 3.28 O 3.6843915 6.3880174 3.28 B 8.0631192 -1.2006879 3.28 B 8.0582808 1.2108315 3.28 O 7.3743811 15.1696519 3.28 H 4.0658214 11.3719518 3.28 H 9.0686937 11.3780969 3.28 H 5.3190165 13.5425494 3.28 B 2.9805295 7.5840917 3.28 B 5.0762241 8.7940415 3.28 B 5.0713857 6.3825221 3.28 O 3.687393 8.7796678 3.28 O 5.7601238 7.5799779 3.28 C 5.8554318 20.1910843 3.28 C 5.1635842 18.9554437 3.28 C 7.2713169 20.1726066 3.28 C 5.863183 17.7437031 3.28 H 4.0658214 18.960888 3.28 C 7.9711433 18.9604717 3.28 H 7.8151308 21.1259775 3.28 C 7.2792029 17.7250404 3.28 H 5.3190165 16.7902904 3.28 H 9.0686937 18.9547429 3.28 B 2.9805295 22.7487481 3.28 B 5.0713857 23.9503177 3.28 B 5.0762241 21.5387983 3.28 O 3.6899896 23.9480544 3.28 O 3.687393 21.553172 3.28 O 5.7601238 22.7528619 3.28 O 9.4501134 13.9712274 3.28 B 8.0567536 13.9564701 3.28 B 10.1427715 15.1664199 3.28 B 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23.9666584 3.28 C 0.6995988 21.532727 3.28 C -0.6998264 23.9666584 3.28 H 1.2535629 24.9143005 3.28 C -0.6995988 21.532727 3.28 H 1.2531951 20.5847586 3.28 C -1.4237711 22.7497048 3.28 H -1.2535629 24.9143005 3.28 H -1.2531951 20.5847586 3.28 O -5.7601238 22.7528619 3.28 O -3.687393 21.553172 3.28 B -5.0762241 21.5387983 3.28 B -2.9805295 22.7487481 3.28 B -5.0713857 23.9503177 3.28 O -3.6899896 23.9480544 3.28 H -11.2619753 0.0012393 3.28 H -11.2619753 -15.1651807 3.28 H 5.6253857 -24.9098739 3.28 H -5.6253857 -24.9098739 3.28 H 11.2619748 -15.1644055 3.28 H 11.2619754 -0.0007478 3.28 H 5.6253857 24.9098739 3.28 H 11.2507715 15.1664199 3.28 H -11.2507715 15.1664199 3.28 H -5.6253857 24.9098739 3.28 -- frag 2 C -7.2790731 2.5585455 0.0000000 C -5.8631880 2.5770232 0.0000000 C -7.9709207 3.7941861 0.0000000 C -5.1633616 3.7891581 0.0000000 H -5.3193741 1.6236523 0.0000000 C -7.2713219 5.0059267 0.0000000 H -9.0686835 3.7887418 0.0000000 C -5.8553020 5.0245894 0.0000000 H -4.0658112 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0.0000000 H -4.0658112 -3.7948869 0.0000000 B -8.0582808 -1.2108315 0.0000000 O -9.4471119 -1.1964578 0.0000000 O -7.3743811 0.0032321 0.0000000 O -3.6843915 -8.7784024 0.0000000 B -5.0777513 -8.7931597 0.0000000 B -5.0777513 -6.3732601 0.0000000 C 5.8554318 -20.1910843 0.0000000 C 7.2713169 -20.1726066 0.0000000 C 5.1635842 -18.9554437 0.0000000 C 7.9711433 -18.9604717 0.0000000 H 7.8151308 -21.1259775 0.0000000 C 5.8631830 -17.7437031 0.0000000 H 4.0658214 -18.9608880 0.0000000 C 7.2792029 -17.7250404 0.0000000 H 9.0686937 -18.9547429 0.0000000 H 5.3190165 -16.7902904 0.0000000 B 2.9805295 -22.7487481 0.0000000 B 5.0762241 -21.5387983 0.0000000 B 5.0713857 -23.9503177 0.0000000 O 3.6873930 -21.5531720 0.0000000 O 3.6899896 -23.9480544 0.0000000 O 5.7601238 -22.7528619 0.0000000 C 5.8554318 -10.1417555 0.0000000 C 5.1635842 -11.3773961 0.0000000 C 5.8631830 -12.5891367 0.0000000 H 7.8151308 -9.2068623 0.0000000 C 7.2792029 -12.6077994 0.0000000 H 9.0686937 -11.3780969 0.0000000 B 5.0762241 -8.7940415 0.0000000 O 3.6899896 -6.3847854 0.0000000 O 3.6873930 -8.7796678 0.0000000 O 5.7601238 -7.5799779 0.0000000 O 7.3747861 -15.1664199 0.0000000 O 9.4501134 -16.3616124 0.0000000 B 8.0567536 -16.3763697 0.0000000 C -7.2792029 -12.6077994 0.0000000 C -5.8631830 -12.5891367 0.0000000 C -7.9711433 -11.3723681 0.0000000 C -5.1635842 -11.3773961 0.0000000 C -7.2713169 -10.1602332 0.0000000 C -5.8554318 -10.1417555 0.0000000 H -7.8151308 -9.2068623 0.0000000 C -7.2792029 -17.7250404 0.0000000 C -7.9711433 -18.9604717 0.0000000 C -5.8631830 -17.7437031 0.0000000 C -7.2713169 -20.1726066 0.0000000 H -9.0686937 -18.9547429 0.0000000 C -5.1635842 -18.9554437 0.0000000 H -5.3190165 -16.7902904 0.0000000 C -5.8554318 -20.1910843 0.0000000 H -7.8151308 -21.1259775 0.0000000 H -4.0658214 -18.9608880 0.0000000 C 1.4237711 -22.7497048 0.0000000 C 0.6995988 -21.5327270 0.0000000 C 0.6998264 -23.9666584 0.0000000 C -0.6995988 -21.5327270 0.0000000 H 1.2531951 -20.5847586 0.0000000 C -0.6998264 -23.9666584 0.0000000 H 1.2535629 -24.9143005 0.0000000 C -1.4237711 -22.7497048 0.0000000 H -1.2531951 -20.5847586 0.0000000 H -1.2535629 -24.9143005 0.0000000 O -9.4501134 -13.9712274 0.0000000 O -9.4501134 -16.3616124 0.0000000 O -7.3747861 -15.1664199 0.0000000 O -5.7601238 -22.7528619 0.0000000 O -3.6899896 -23.9480544 0.0000000 B -5.0713857 -23.9503177 0.0000000 B -2.9805295 -22.7487481 0.0000000 B -5.0762241 -21.5387983 0.0000000 O -3.6873930 -21.5531720 0.0000000 C 1.4237711 -7.5831350 0.0000000 C 0.6998264 -6.3661814 0.0000000 C 0.6995988 -8.8001128 0.0000000 C -0.6998264 -6.3661814 0.0000000 H 1.2535629 -5.4185393 0.0000000 C -0.6995988 -8.8001128 0.0000000 H 1.2531951 -9.7480812 0.0000000 C -1.4237711 -7.5831350 0.0000000 H -1.2535629 -5.4185393 0.0000000 H -1.2531951 -9.7480812 0.0000000 O -5.7601238 -7.5799779 0.0000000 B -2.9805295 -7.5840917 0.0000000 O -3.6899896 -6.3847854 0.0000000 C 5.8553020 -5.0245894 0.0000000 C 7.2713219 -5.0059267 0.0000000 C 5.1633616 -3.7891581 0.0000000 C 7.9709207 -3.7941861 0.0000000 H 7.8154884 -5.9593394 0.0000000 C 5.8631880 -2.5770232 0.0000000 H 4.0658112 -3.7948869 0.0000000 C 7.2790731 -2.5585455 0.0000000 H 9.0686835 -3.7887418 0.0000000 H 5.3193741 -1.6236523 0.0000000 C 7.2713219 -10.1604931 0.0000000 H 4.0658112 -11.3715329 0.0000000 C 7.9709207 -11.3722337 0.0000000 H 5.3193741 -13.5427675 0.0000000 B 2.9917334 -7.5832099 0.0000000 B 5.0777513 -6.3732601 0.0000000 B 10.1539754 -15.1655381 0.0000000 B 8.0582808 -13.9555883 0.0000000 O 9.4471119 -13.9699620 0.0000000 O 7.3743811 0.0032321 0.0000000 O 9.4471119 -1.1964578 0.0000000 B 10.1539754 -0.0008817 0.0000000 O 9.4445153 1.1984246 0.0000000 C 5.8553020 10.1418304 0.0000000 C 7.2713219 10.1604931 0.0000000 C 5.1633616 11.3772617 0.0000000 C 7.9709207 11.3722337 0.0000000 H 7.8154884 9.2070804 0.0000000 C 5.8631880 12.5893966 0.0000000 C 7.2790731 12.6078743 0.0000000 C 5.8553020 5.0245894 0.0000000 C 5.1633616 3.7891581 0.0000000 C 7.2713219 5.0059267 0.0000000 C 5.8631880 2.5770232 0.0000000 H 4.0658112 3.7948869 0.0000000 C 7.9709207 3.7941861 0.0000000 H 7.8154884 5.9593394 0.0000000 C 7.2790731 2.5585455 0.0000000 H 5.3193741 1.6236523 0.0000000 H 9.0686835 3.7887418 0.0000000 O 3.6843915 6.3880174 0.0000000 B 8.0631192 -1.2006879 0.0000000 B 8.0582808 1.2108315 0.0000000 O 7.3743811 15.1696519 0.0000000 H 4.0658214 11.3719518 0.0000000 H 9.0686937 11.3780969 0.0000000 H 5.3190165 13.5425494 0.0000000 B 2.9805295 7.5840917 0.0000000 B 5.0762241 8.7940415 0.0000000 B 5.0713857 6.3825221 0.0000000 O 3.6873930 8.7796678 0.0000000 O 5.7601238 7.5799779 0.0000000 C 5.8554318 20.1910843 0.0000000 C 5.1635842 18.9554437 0.0000000 C 7.2713169 20.1726066 0.0000000 C 5.8631830 17.7437031 0.0000000 H 4.0658214 18.9608880 0.0000000 C 7.9711433 18.9604717 0.0000000 H 7.8151308 21.1259775 0.0000000 C 7.2792029 17.7250404 0.0000000 H 5.3190165 16.7902904 0.0000000 H 9.0686937 18.9547429 0.0000000 B 2.9805295 22.7487481 0.0000000 B 5.0713857 23.9503177 0.0000000 B 5.0762241 21.5387983 0.0000000 O 3.6899896 23.9480544 0.0000000 O 3.6873930 21.5531720 0.0000000 O 5.7601238 22.7528619 0.0000000 O 9.4501134 13.9712274 0.0000000 B 8.0567536 13.9564701 0.0000000 B 10.1427715 15.1664199 0.0000000 B 8.0567536 16.3763697 0.0000000 O 9.4501134 16.3616124 0.0000000 C -7.2792029 17.7250404 0.0000000 C -5.8631830 17.7437031 0.0000000 C -7.9711433 18.9604717 0.0000000 C -5.1635842 18.9554437 0.0000000 H -5.3190165 16.7902904 0.0000000 C -7.2713169 20.1726066 0.0000000 H -9.0686937 18.9547429 0.0000000 C -5.8554318 20.1910843 0.0000000 H -4.0658214 18.9608880 0.0000000 H -7.8151308 21.1259775 0.0000000 C -7.2792029 12.6077994 0.0000000 C -7.9711433 11.3723681 0.0000000 H -9.0686937 11.3780969 0.0000000 C -5.1635842 11.3773961 0.0000000 C -5.8554318 10.1417555 0.0000000 H -4.0658214 11.3719518 0.0000000 C 1.4237711 7.5831350 0.0000000 C 0.6995988 8.8001128 0.0000000 C 0.6998264 6.3661814 0.0000000 C -0.6995988 8.8001128 0.0000000 H 1.2531951 9.7480812 0.0000000 C -0.6998264 6.3661814 0.0000000 H 1.2535629 5.4185393 0.0000000 C -1.4237711 7.5831350 0.0000000 H -1.2531951 9.7480812 0.0000000 H -1.2535629 5.4185393 0.0000000 B -10.1427715 15.1664199 0.0000000 B -8.0567536 16.3763697 0.0000000 O -9.4501134 16.3616124 0.0000000 O -9.4501134 13.9712274 0.0000000 B -5.0713857 6.3825221 0.0000000 O -3.6873930 8.7796678 0.0000000 C 1.4237711 22.7497048 0.0000000 C 0.6998264 23.9666584 0.0000000 C 0.6995988 21.5327270 0.0000000 C -0.6998264 23.9666584 0.0000000 H 1.2535629 24.9143005 0.0000000 C -0.6995988 21.5327270 0.0000000 H 1.2531951 20.5847586 0.0000000 C -1.4237711 22.7497048 0.0000000 H -1.2535629 24.9143005 0.0000000 H -1.2531951 20.5847586 0.0000000 O -5.7601238 22.7528619 0.0000000 O -3.6873930 21.5531720 0.0000000 B -5.0762241 21.5387983 0.0000000 B -2.9805295 22.7487481 0.0000000 B -5.0713857 23.9503177 0.0000000 O -3.6899896 23.9480544 0.0000000 H -11.2619753 0.0012393 0.0000000 H -11.2619753 -15.1651807 0.0000000 H 5.6253857 -24.9098739 0.0000000 H -5.6253857 -24.9098739 0.0000000 H 11.2619748 -15.1644055 0.0000000 H 11.2619754 -0.0007478 0.0000000 H 5.6253857 24.9098739 0.0000000 H 11.2507715 15.1664199 0.0000000 H -11.2507715 15.1664199 0.0000000 H -5.6253857 24.9098739 0.0000000 half-COF1 dimer -- frag 1 B -1.58144 7.99377 3.28 B -0.454015 10.12489 3.28 B 0.836907 8.087538 3.28 O -1.621935 9.386547 3.28 O -0.345476 7.359456 3.28 O 0.767132 9.478818 3.28 C -7.514035 -1.74365 3.28 C -6.334256 -0.960098 3.28 C -8.765452 -1.081315 3.28 C -6.40426 0.437186 3.28 H -5.36043 -1.46672 3.28 C -8.835453 0.316509 3.28 H -9.683953 -1.682028 3.28 C -7.655765 1.0998 3.28 H -5.485435 1.0378 3.28 H -9.808963 0.823217 3.28 B -8.533714 -5.444807 3.28 B -7.435687 -3.298421 3.28 B -6.124087 -5.331917 3.28 O -8.599667 -4.064827 3.28 O -7.3038 -6.073062 3.28 O -6.206216 -3.945851 3.28 C -2.898483 7.163682 3.28 C -4.161485 7.804123 3.28 C -2.858074 5.748302 3.28 C -5.343621 7.054328 3.28 H -4.201253 8.901094 3.28 C -4.039668 4.99883 3.28 H -1.882615 5.244896 3.28 C -5.302929 5.638995 3.28 H -6.318895 7.557705 3.28 H -3.999547 3.901685 3.28 O -8.960744 3.308725 3.28 O -6.567555 3.415122 3.28 B -7.729984 2.654722 3.28 B -6.616126 4.802924 3.28 B -9.025303 4.688587 3.28 O -7.860441 5.430766 3.28 H -0.500754 11.332757 3.28 H -9.549419 -6.099857 3.28 H -10.098453 5.244762 3.28 H 1.8174499 7.5715926 3.28 H -5.1389243 -5.8389855 3.28 -- frag 2 B -1.5814400 7.9937700 0.0000000 B -0.4540150 10.1248900 0.0000000 B 0.8369070 8.0875380 0.0000000 O -1.6219350 9.3865470 0.0000000 O -0.3454760 7.3594560 0.0000000 O 0.7671320 9.4788180 0.0000000 C -7.5140350 -1.7436500 0.0000000 C -6.3342560 -0.9600980 0.0000000 C -8.7654520 -1.0813150 0.0000000 C -6.4042600 0.4371860 0.0000000 H -5.3604300 -1.4667200 0.0000000 C -8.8354530 0.3165090 0.0000000 H -9.6839530 -1.6820280 0.0000000 C -7.6557650 1.0998000 0.0000000 H -5.4854350 1.0378000 0.0000000 H -9.8089630 0.8232170 0.0000000 B -8.5337140 -5.4448070 0.0000000 B -7.4356870 -3.2984210 0.0000000 B -6.1240870 -5.3319170 0.0000000 O -8.5996670 -4.0648270 0.0000000 O -7.3038000 -6.0730620 0.0000000 O -6.2062160 -3.9458510 0.0000000 C -2.8984830 7.1636820 0.0000000 C -4.1614850 7.8041230 0.0000000 C -2.8580740 5.7483020 0.0000000 C -5.3436210 7.0543280 0.0000000 H -4.2012530 8.9010940 0.0000000 C -4.0396680 4.9988300 0.0000000 H -1.8826150 5.2448960 0.0000000 C -5.3029290 5.6389950 0.0000000 H -6.3188950 7.5577050 0.0000000 H -3.9995470 3.9016850 0.0000000 O -8.9607440 3.3087250 0.0000000 O -6.5675550 3.4151220 0.0000000 B -7.7299840 2.6547220 0.0000000 B -6.6161260 4.8029240 0.0000000 B -9.0253030 4.6885870 0.0000000 O -7.8604410 5.4307660 0.0000000 H -0.5007540 11.3327570 0.0000000 H -9.5494190 -6.0998570 0.0000000 H -10.0984530 5.2447620 0.0000000 H 1.8174499 7.5715926 0.0000000 H -5.1389243 -5.8389855 0.0000000 porphyrin dimer -- frag 1 C -0.6777971 -4.2528381 3.7 C 0.6777971 -4.2528381 3.7 C -1.0865475 -2.8520239 3.7 N 0.0 -2.0295856 3.7 C 1.0865475 -2.8520239 3.7 C 2.4196577 -2.4376958 3.7 C 2.8875526 -1.1289233 3.7 N 2.108359 0.0 3.7 C 2.8875526 1.1289233 3.7 C 4.2505397 0.6853324 3.7 C 4.2505397 -0.6853324 3.7 C 2.4196577 2.4376958 3.7 C 1.0865475 2.8520239 3.7 N 0.0 2.0295856 3.7 C -1.0865475 2.8520239 3.7 C -0.6777971 4.2528381 3.7 C 0.6777971 4.2528381 3.7 C -2.4196577 2.4376958 3.7 C -2.8875526 1.1289233 3.7 N -2.108359 0.0 3.7 C -2.8875526 -1.1289233 3.7 C -4.2505397 -0.6853324 3.7 C -4.2505397 0.6853324 3.7 C -2.4196577 -2.4376958 3.7 H -1.3482563 -5.1016223 3.7 H 1.3482563 -5.1016223 3.7 H 3.1777525 -3.213692 3.7 H 1.0955955 0.0 3.7 H 5.1055678 1.3456387 3.7 H 5.1055678 -1.3456387 3.7 H 3.1777525 3.213692 3.7 H -1.3482563 5.1016223 3.7 H 1.3482563 5.1016223 3.7 H -3.1777525 3.213692 3.7 H -1.0955955 0.0 3.7 H -5.1055678 -1.3456387 3.7 H -5.1055678 1.3456387 3.7 H -3.1777525 -3.213692 3.7 -- frag 2 C -0.6777971 -4.2528381 0.0000000 C 0.6777971 -4.2528381 0.0000000 C -1.0865475 -2.8520239 0.0000000 N -0.0000000 -2.0295856 0.0000000 C 1.0865475 -2.8520239 0.0000000 C 2.4196577 -2.4376958 0.0000000 C 2.8875526 -1.1289233 0.0000000 N 2.1083590 -0.0000000 0.0000000 C 2.8875526 1.1289233 0.0000000 C 4.2505397 0.6853324 0.0000000 C 4.2505397 -0.6853324 0.0000000 C 2.4196577 2.4376958 -0.0000000 C 1.0865475 2.8520239 -0.0000000 N 0.0000000 2.0295856 -0.0000000 C -1.0865475 2.8520239 -0.0000000 C -0.6777971 4.2528381 -0.0000000 C 0.6777971 4.2528381 -0.0000000 C -2.4196577 2.4376958 -0.0000000 C -2.8875526 1.1289233 -0.0000000 N -2.1083590 0.0000000 -0.0000000 C -2.8875526 -1.1289233 -0.0000000 C -4.2505397 -0.6853324 -0.0000000 C -4.2505397 0.6853324 -0.0000000 C -2.4196577 -2.4376958 0.0000000 H -1.3482563 -5.1016223 0.0000000 H 1.3482563 -5.1016223 0.0000000 H 3.1777525 -3.2136920 0.0000000 H 1.0955955 -0.0000000 0.0000000 H 5.1055678 1.3456387 0.0000000 H 5.1055678 -1.3456387 0.0000000 H 3.1777525 3.2136920 -0.0000000 H -1.3482563 5.1016223 -0.0000000 H 1.3482563 5.1016223 -0.0000000 H -3.1777525 3.2136920 -0.0000000 H -1.0955955 0.0000000 -0.0000000 H -5.1055678 -1.3456387 -0.0000000 H -5.1055678 1.3456387 -0.0000000 H -3.1777525 -3.2136920 0.0000000 COF1 dimer -- frag 1 C 7.655765 -1.0998 3.28 C 8.835453 -0.316509 3.28 C 6.40426 -0.437186 3.28 C 8.765452 1.081315 3.28 H 9.808963 -0.823217 3.28 C 6.334256 0.960098 3.28 H 5.485435 -1.0378 3.28 C 7.514035 1.74365 3.28 H 9.683953 1.682028 3.28 H 5.36043 1.46672 3.28 B 6.616126 -4.802924 3.28 B 7.729984 -2.654722 3.28 B 9.025303 -4.688587 3.28 O 6.567555 -3.415122 3.28 O 7.860441 -5.430766 3.28 O 8.960744 -3.308725 3.28 C 2.216196 7.365457 3.28 C 2.296493 5.951654 3.28 C 3.421097 8.109663 3.28 C 3.537322 5.304759 3.28 H 1.367935 5.36607 3.28 C 4.662135 7.462721 3.28 H 3.369295 9.206121 3.28 C 4.742356 6.049045 3.28 H 3.588536 4.208017 3.28 H 5.590722 8.047862 3.28 B -1.58144 7.99377 3.28 B -0.454015 10.12489 3.28 B 0.836907 8.087538 3.28 O -1.621935 9.386547 3.28 O -0.345476 7.359456 3.28 O 0.767132 9.478818 3.28 O 6.206216 3.945851 3.28 O 8.599667 4.064827 3.28 B 7.435687 3.298421 3.28 B 8.533714 5.444807 3.28 B 6.124087 5.331917 3.28 O 7.3038 6.073062 3.28 C -7.514035 -1.74365 3.28 C -6.334256 -0.960098 3.28 C -8.765452 -1.081315 3.28 C -6.40426 0.437186 3.28 H -5.36043 -1.46672 3.28 C -8.835453 0.316509 3.28 H -9.683953 -1.682028 3.28 C -7.655765 1.0998 3.28 H -5.485435 1.0378 3.28 H -9.808963 0.823217 3.28 C -4.742356 -6.049045 3.28 C -4.662135 -7.462721 3.28 C -3.537322 -5.304759 3.28 C -3.421097 -8.109663 3.28 H -5.590722 -8.047862 3.28 C -2.296493 -5.951654 3.28 H -3.588536 -4.208017 3.28 C -2.216196 -7.365457 3.28 H -3.369295 -9.206121 3.28 H -1.367935 -5.36607 3.28 C 5.302929 -5.638995 3.28 C 4.039668 -4.99883 3.28 C 5.343621 -7.054328 3.28 C 2.858074 -5.748302 3.28 H 3.999547 -3.901685 3.28 C 4.161485 -7.804123 3.28 H 6.318895 -7.557705 3.28 C 2.898483 -7.163682 3.28 H 1.882615 -5.244896 3.28 H 4.201253 -8.901094 3.28 B -8.533714 -5.444807 3.28 B -7.435687 -3.298421 3.28 B -6.124087 -5.331917 3.28 O -8.599667 -4.064827 3.28 O -7.3038 -6.073062 3.28 O -6.206216 -3.945851 3.28 O -0.767132 -9.478818 3.28 O 1.621935 -9.386547 3.28 B 0.454015 -10.12489 3.28 B 1.58144 -7.99377 3.28 B -0.836907 -8.087538 3.28 O 0.345476 -7.359456 3.28 C -2.898483 7.163682 3.28 C -4.161485 7.804123 3.28 C -2.858074 5.748302 3.28 C -5.343621 7.054328 3.28 H -4.201253 8.901094 3.28 C -4.039668 4.99883 3.28 H -1.882615 5.244896 3.28 C -5.302929 5.638995 3.28 H -6.318895 7.557705 3.28 H -3.999547 3.901685 3.28 O -8.960744 3.308725 3.28 O -6.567555 3.415122 3.28 B -7.729984 2.654722 3.28 B -6.616126 4.802924 3.28 B -9.025303 4.688587 3.28 O -7.860441 5.430766 3.28 H 10.098453 -5.244762 3.28 H -0.500754 11.332757 3.28 H 9.549419 6.099857 3.28 H -9.549419 -6.099857 3.28 H 0.500754 -11.332757 3.28 H -10.098453 5.244762 3.28 -- frag 2 C 7.655765 -1.099800 0.000000 C 8.835453 -0.316509 0.000000 C 6.404260 -0.437186 0.000000 C 8.765452 1.081315 0.000000 H 9.808963 -0.823217 0.000000 C 6.334256 0.960098 0.000000 H 5.485435 -1.037800 0.000000 C 7.514035 1.743650 0.000000 H 9.683953 1.682028 0.000000 H 5.360430 1.466720 0.000000 B 6.616126 -4.802924 0.000000 B 7.729984 -2.654722 0.000000 B 9.025303 -4.688587 0.000000 O 6.567555 -3.415122 0.000000 O 7.860441 -5.430766 0.000000 O 8.960744 -3.308725 0.000000 C 2.216196 7.365457 0.000000 C 2.296493 5.951654 0.000000 C 3.421097 8.109663 0.000000 C 3.537322 5.304759 0.000000 H 1.367935 5.366070 0.000000 C 4.662135 7.462721 0.000000 H 3.369295 9.206121 0.000000 C 4.742356 6.049045 0.000000 H 3.588536 4.208017 0.000000 H 5.590722 8.047862 0.000000 B -1.581440 7.993770 0.000000 B -0.454015 10.124890 0.000000 B 0.836907 8.087538 0.000000 O -1.621935 9.386547 0.000000 O -0.345476 7.359456 0.000000 O 0.767132 9.478818 0.000000 O 6.206216 3.945851 0.000000 O 8.599667 4.064827 0.000000 B 7.435687 3.298421 0.000000 B 8.533714 5.444807 0.000000 B 6.124087 5.331917 0.000000 O 7.303800 6.073062 0.000000 C -7.514035 -1.743650 0.000000 C -6.334256 -0.960098 0.000000 C -8.765452 -1.081315 0.000000 C -6.404260 0.437186 0.000000 H -5.360430 -1.466720 0.000000 C -8.835453 0.316509 0.000000 H -9.683953 -1.682028 0.000000 C -7.655765 1.099800 0.000000 H -5.485435 1.037800 0.000000 H -9.808963 0.823217 0.000000 C -4.742356 -6.049045 0.000000 C -4.662135 -7.462721 0.000000 C -3.537322 -5.304759 0.000000 C -3.421097 -8.109663 0.000000 H -5.590722 -8.047862 0.000000 C -2.296493 -5.951654 0.000000 H -3.588536 -4.208017 0.000000 C -2.216196 -7.365457 0.000000 H -3.369295 -9.206121 0.000000 H -1.367935 -5.366070 0.000000 C 5.302929 -5.638995 0.000000 C 4.039668 -4.998830 0.000000 C 5.343621 -7.054328 0.000000 C 2.858074 -5.748302 0.000000 H 3.999547 -3.901685 0.000000 C 4.161485 -7.804123 0.000000 H 6.318895 -7.557705 0.000000 C 2.898483 -7.163682 0.000000 H 1.882615 -5.244896 0.000000 H 4.201253 -8.901094 0.000000 B -8.533714 -5.444807 0.000000 B -7.435687 -3.298421 0.000000 B -6.124087 -5.331917 0.000000 O -8.599667 -4.064827 0.000000 O -7.303800 -6.073062 0.000000 O -6.206216 -3.945851 0.000000 O -0.767132 -9.478818 0.000000 O 1.621935 -9.386547 0.000000 B 0.454015 -10.124890 0.000000 B 1.581440 -7.993770 0.000000 B -0.836907 -8.087538 0.000000 O 0.345476 -7.359456 0.000000 C -2.898483 7.163682 0.000000 C -4.161485 7.804123 0.000000 C -2.858074 5.748302 0.000000 C -5.343621 7.054328 0.000000 H -4.201253 8.901094 0.000000 C -4.039668 4.998830 0.000000 H -1.882615 5.244896 0.000000 C -5.302929 5.638995 0.000000 H -6.318895 7.557705 0.000000 H -3.999547 3.901685 0.000000 O -8.960744 3.308725 0.000000 O -6.567555 3.415122 0.000000 B -7.729984 2.654722 0.000000 B -6.616126 4.802924 0.000000 B -9.025303 4.688587 0.000000 O -7.860441 5.430766 0.000000 H 10.098453 -5.244762 0.000000 H -0.500754 11.332757 0.000000 H 9.549419 6.099857 0.000000 H -9.549419 -6.099857 0.000000 H 0.500754 -11.332757 0.000000 H -10.098453 5.244762 0.000000 hex-COF1 dimer -- frag 1 C 10.0297104 10.8574962 3.28 C 8.7922231 10.1692329 3.28 C 10.0065099 12.2727258 3.28 C 7.5805755 10.868778 3.28 H 8.790039 9.0714789 3.28 C 8.7951104 12.9721277 3.28 H 10.9562035 12.822771 3.28 C 7.5578853 12.2846051 3.28 H 6.6309846 10.3180095 3.28 H 8.7966167 14.0696091 3.28 B 11.3813331 10.0801641 3.28 O 13.7857587 8.6929266 3.28 O 11.3955423 8.692468 3.28 B 3.8001078 23.2252404 3.28 O 5.0 12.3849361 3.28 B 6.2088846 13.0664786 3.28 H 20.184155 16.3588105 3.28 C 15.1520986 10.8613169 3.28 C 16.3898677 10.1738299 3.28 C 16.386856 12.977292 3.28 H 14.2263502 12.8278371 3.28 C 17.6019655 10.8726606 3.28 H 16.3922809 9.0763351 3.28 C 17.624217 12.2885951 3.28 H 16.3854439 14.0748535 3.28 O 21.3809006 14.4575174 3.28 O 20.187404 12.3868644 3.28 B 21.3834673 13.0734831 3.28 O 18.9909142 14.4592455 3.28 C 17.624217 -2.2885951 3.28 C 15.175602 -2.2769998 3.28 C 16.3898677 -0.1738299 3.28 H 18.5517756 -0.3226568 3.28 C 15.1520986 -0.8613169 3.28 O 20.187404 -2.3868644 3.28 O 21.3809006 -4.4575174 3.28 O 18.9909142 -4.4592455 3.28 C 12.5875957 6.4271089 3.28 C 13.8016203 5.6994019 3.28 C 11.3727986 5.699545 3.28 C 13.8016203 4.3005981 3.28 H 14.7528202 6.246838 3.28 C 11.3727986 4.300455 3.28 H 10.4210237 6.2465306 3.28 C 12.5875957 3.5728911 3.28 H 14.7528202 3.753162 3.28 H 10.4210237 3.7534694 3.28 B 13.800298 10.0808544 3.28 B 12.5902177 7.9863145 3.28 O 12.5910476 10.762227 3.28 O 12.5910476 -0.762227 3.28 B 11.3813331 -0.0801641 3.28 B 12.5902177 2.0136855 3.28 O 11.3955423 1.307532 3.28 H 22.429096 12.4704587 3.28 H 22.429096 -2.4704587 3.28 C 15.175602 12.2769998 3.28 H 18.5517756 10.3226568 3.28 B 18.9719932 13.0667341 3.28 B 20.1835751 15.1517574 3.28 H 7.244941 -13.8292692 3.28 C 6.2142657 -7.4508297 3.28 C 3.7848905 -8.8499525 3.28 C 5.0 -9.5771901 3.28 H 2.8336682 -9.3975104 3.28 B 6.2088846 -3.0664786 3.28 O 5.0 -2.3849361 3.28 O 6.1947111 -4.4551536 3.28 O 6.1964898 -11.8461099 3.28 O 5.0 -13.9150347 3.28 B 6.1998922 -13.2252404 3.28 B 5.0 -11.1334681 3.28 O 3.8035102 -11.8461099 3.28 C 16.386856 -2.977292 3.28 C 17.6019655 -0.8726606 3.28 H 16.3854439 -4.0748535 3.28 H 14.2263502 -2.8278371 3.28 H 16.3922809 0.9236649 3.28 H 20.184155 -6.3588105 3.28 B 21.3834673 -3.0734831 3.28 B 18.9719932 -3.0667341 3.28 B 20.1835751 -5.1517574 3.28 C 7.5578853 -2.2846051 3.28 C 7.5805755 -0.868778 3.28 C 8.7951104 -2.9721277 3.28 C 8.7922231 -0.1692329 3.28 H 6.6309846 -0.3180095 3.28 C 10.0065099 -2.2727258 3.28 H 8.7966167 -4.0696091 3.28 C 10.0297104 -0.8574962 3.28 H 8.790039 0.9285211 3.28 H 10.9562035 -2.822771 3.28 O 13.7857587 1.3070734 3.28 B 13.800298 -0.0808544 3.28 H -10.184155 -6.3588105 3.28 B -8.9719932 -3.0667341 3.28 B -11.3834673 -3.0734831 3.28 B -10.1835751 -5.1517574 3.28 O -8.9909142 -4.4592455 3.28 C 2.4421147 -2.2846051 3.28 C 1.2048896 -2.9721277 3.28 C 2.4194245 -0.868778 3.28 C -0.0065099 -2.2727258 3.28 H 1.2033833 -4.0696091 3.28 C 1.2077769 -0.1692329 3.28 H 3.3690154 -0.3180095 3.28 C -0.0297104 -0.8574962 3.28 H -0.9562035 -2.822771 3.28 H 1.209961 0.9285211 3.28 C 5.0 -6.7226337 3.28 C 3.7857343 -7.4508297 3.28 C 6.2151095 -8.8499525 3.28 H 7.1659307 -6.9041722 3.28 H 2.8340693 -6.9041722 3.28 H 7.1663318 -9.3975104 3.28 H 2.755059 -13.8292692 3.28 B 3.7911154 -3.0664786 3.28 B 5.0 -5.1617089 3.28 O 3.8052889 -4.4551536 3.28 B 3.8001078 -13.2252404 3.28 C -6.386856 -2.977292 3.28 H -6.3854439 -4.0748535 3.28 H -4.2263502 -2.8278371 3.28 O -2.5910476 -0.762227 3.28 B -2.5902177 2.0136855 3.28 H -12.429096 -2.4704587 3.28 O -10.187404 -2.3868644 3.28 O -11.3809006 -4.4575174 3.28 C -5.175602 12.2769998 3.28 C -7.6019655 10.8726606 3.28 C -2.5875957 6.4271089 3.28 C -1.3727986 5.699545 3.28 C -3.8016203 5.6994019 3.28 C -1.3727986 4.300455 3.28 H -0.4210237 6.2465306 3.28 C -3.8016203 4.3005981 3.28 H -4.7528202 6.246838 3.28 C -2.5875957 3.5728911 3.28 H -0.4210237 3.7534694 3.28 H -4.7528202 3.753162 3.28 C -7.624217 -2.2885951 3.28 C -7.6019655 -0.8726606 3.28 C -6.3898677 -0.1738299 3.28 H -8.5517756 -0.3226568 3.28 C -5.175602 -2.2769998 3.28 C -5.1520986 -0.8613169 3.28 H -6.3922809 0.9236649 3.28 B -1.3813331 10.0801641 3.28 B -3.800298 10.0808544 3.28 B -2.5902177 7.9863145 3.28 O -2.5910476 10.762227 3.28 O -1.3955423 1.307532 3.28 B -1.3813331 -0.0801641 3.28 B -3.800298 -0.0808544 3.28 O -3.7857587 1.3070734 3.28 H -12.429096 12.4704587 3.28 B -8.9719932 13.0667341 3.28 B -10.1835751 15.1517574 3.28 C -5.1520986 10.8613169 3.28 C -6.3898677 10.1738299 3.28 H -6.3922809 9.0763351 3.28 C -6.386856 12.977292 3.28 H -4.2263502 12.8278371 3.28 C -7.624217 12.2885951 3.28 H -8.5517756 10.3226568 3.28 H -6.3854439 14.0748535 3.28 O -1.3955423 8.692468 3.28 O -3.7857587 8.6929266 3.28 H -10.184155 16.3588105 3.28 O -8.9909142 14.4592455 3.28 O -10.187404 12.3868644 3.28 B -11.3834673 13.0734831 3.28 O -11.3809006 14.4575174 3.28 H 2.755059 23.8292692 3.28 C -0.0297104 10.8574962 3.28 C -0.0065099 12.2727258 3.28 C 1.2077769 10.1692329 3.28 C 1.2048896 12.9721277 3.28 H -0.9562035 12.822771 3.28 C 2.4194245 10.868778 3.28 H 1.209961 9.0714789 3.28 C 2.4421147 12.2846051 3.28 H 1.2033833 14.0696091 3.28 H 3.3690154 10.3180095 3.28 B 6.1998922 23.2252404 3.28 O 5.0 23.9150347 3.28 O 3.8035102 21.8461099 3.28 O 6.1947111 14.4551536 3.28 B 3.7911154 13.0664786 3.28 H 7.244941 23.8292692 3.28 C 5.0 19.5771901 3.28 C 6.2151095 18.8499525 3.28 H 7.1663318 19.3975104 3.28 C 3.7857343 17.4508297 3.28 C 5.0 16.7226337 3.28 H 2.8340693 16.9041722 3.28 B 5.0 21.1334681 3.28 O 6.1964898 21.8461099 3.28 B 5.0 15.1617089 3.28 O 3.8052889 14.4551536 3.28 C 3.7848905 18.8499525 3.28 C 6.2142657 17.4508297 3.28 H 2.8336682 19.3975104 3.28 H 7.1659307 16.9041722 3.28 -- frag 2 C 5.0297104 5.8574962 0.0000000 C 3.7922231 5.1692329 0.0000000 C 5.0065099 7.2727258 0.0000000 C 2.5805755 5.8687780 0.0000000 H 3.7900390 4.0714789 0.0000000 C 3.7951104 7.9721277 0.0000000 H 5.9562035 7.8227710 0.0000000 C 2.5578853 7.2846051 0.0000000 H 1.6309846 5.3180095 0.0000000 H 3.7966167 9.0696091 0.0000000 B 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