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) (-0.898507, 0.345828, -0.263488, -0.060513) (3.320114) (-0.014500, 0.081000, 4.238000) (1.000000)
egroup (View Data)
group (toluene)
info opengroup open = True
mol (toluene) def
atom 1 (6) (38, 578, -3124) def
info atom atomtype = sp2
atom 2 (6) (428, -646, -3673) def
info atom atomtype = sp2
bonda 1
atom 3 (6) (-173, -1109, -4846) def
info atom atomtype = sp2
bonda 2
atom 4 (6) (-1164, -347, -5470) def
info atom atomtype = sp2
bonda 3
atom 5 (6) (-1554, 876, -4921) def
info atom atomtype = sp2
bonda 4
atom 6 (6) (-953, 1339, -3748) def
info atom atomtype = sp2
bonda 5 1
atom 7 (1) (507, 939, -2209) def
bond1 1
atom 8 (6) (1521, -1485, -2985) def
bond1 2
atom 9 (1) (132, -2063, -5274) def
bond1 3
atom 10 (1) (-1633, -708, -6385) def
bond1 4
atom 11 (1) (-2327, 1471, -5408) def
bond1 5
atom 12 (1) (-1257, 2294, -3320) def
bond1 6
atom 13 (1) (2356, -1627, -3671) def
bond1 8
atom 14 (1) (1111, -2456, -2706) def
bond1 8
atom 15 (1) (1868, -967, -2091) def
bond1 8
egroup (toluene)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part toluene