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mmpformat 050502 required; 050706 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (0.920995, -0.389433, -0.009494, 0.004441) (3.901103) (-0.127000, -0.072500, -0.287500) (1.000000)
egroup (View Data)
group (caffeine)
info opengroup open = True
mol (caffeine) def
atom 1 (6) (-1799, 22, 602) def
info atom atomtype = sp2
atom 2 (7) (-1586, -945, -363) def
bond1 1
atom 3 (6) (-2731, -1654, -954) def
bond1 2
atom 4 (6) (-301, -1248, -776) def
info atom atomtype = sp2
bond1 2
atom 5 (6) (789, -574, -214) def
info atom atomtype = sp2
bond1 4
atom 6 (6) (563, 404, 763) def
info atom atomtype = sp2
bond2 5
atom 7 (7) (-728, 694, 1163) def
bond1 1 6
atom 8 (6) (-964, 1720, 2189) def
bond1 7
atom 9 (7) (1752, 896, 1139) def
info atom atomtype = sp2
bond1 6
atom 10 (6) (2729, 287, 454) def
info atom atomtype = sp2
bond2 9
atom 11 (7) (2158, -638, -400) def
bond1 5 10
atom 12 (6) (2871, -1524, -1331) def
bond1 11
atom 13 (8) (-101, -2186, -1712) def
info atom atomtype = sp2
bond2 4
atom 14 (8) (-3048, 309, 996) def
info atom atomtype = sp2
bond2 1
atom 15 (1) (3786, 485, 553) def
bond1 10
atom 16 (1) (-2947, -2544, -368) def
bond1 3
atom 17 (1) (-2491, -1941, -1976) def
bond1 3
atom 18 (1) (-3601, -1000, -955) def
bond1 3
atom 19 (1) (-1088, 2689, 1711) def
bond1 8
atom 20 (1) (-114, 1756, 2868) def
bond1 8
atom 21 (1) (-1864, 1473, 2748) def
bond1 8
atom 22 (1) (2981, -1026, -2293) def
bond1 12
atom 23 (1) (2305, -2444, -1462) def
bond1 12
atom 24 (1) (3855, -1757, -929) def
bond1 12
egroup (caffeine)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part caffeine
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