ChemDraw User's Manual - CambridgeSoft

Administrator• Line 2 contains two fields: the first field is thenumber of atom labels, and the second field isthe number of bonds. These fields must beseparated by at least one space.• Lines 3. 9 each contain 4 fields describinginformation about the individual atoms: thefirst field is the X Cartesian coordinate(0.8667), the second field is the Y Cartesiancoordinate (0.0000), the third field is the ZCartesian coordinate (0.0000), and the fourthfield is the atom label (C).The spacing of these fields is very important.Any data outside the following columns(especially data overlapping the ranges) mayrender a file unreadable.• Field 1: Columns 0. 9• Field 2: Columns 10. 19• Field 3: Columns 20. 29• Field 4: Columns 31. end• Lines 10. 16 each contain four fields describinginformation about the individual bondsbetween the atoms: the first two fieldsrepresent the serial numbers of the atoms thatare connected by this bond (atom 1 and atom6), the third field is the bond order (1) and thefourth field is the bond type (1).The bond types for the Connection Table formatare as follows:value5 Wedged hash with secondatom at narrow end.6 Bold.7 Wedged with first atom atnarrow end.8 Wedged with second atom atnarrow end.9 Wavy.bond type10 Hollow wedge with narrow endtowards 1st atom.11 Hollow wedge with narrow endtowards 2nd atom.12 Dative bond with arrowtowards 2nd atom.13 Dative bond with arrowtowards 1st atom.valuebond type14 Any (bond property).1 Single.2 Dashed.3 Hashed.4 Wedged hash with first atom atnarrow end.15 Single/Double (bondproperty).16 Double/Aromatic (bondproperty).17 Single/Aromatic (bondproperty).268•Chemistry File FormatsCambridgeSoftConnection Table File Format