----------------------------------------------------------------------------------------------------------- 5 !number of fragments ----------------------------------------------------------------------------------------------------------- No sites | fragment topology ---------|------------------------------------------------------------------------------------------------- 12 15 4 5 13 6 14 1 7 2 11 3 12 4 9 7 1 8 3 10 8 7 3 16 15 4 3 17 15 4 ----------------------------------------------------------------------------------------------------------- 2 !number of torsion groups ----------------------------------------------------------------------------------------------------------- No torsions | atom list ------------|---------------------------------------------------------------------------------------------- 2 10 8 7 9 -40.d0 +40.d0 8 7 1 2 -30.d0 +30.d0 2 16 15 4 3 -50.d0 +50.d0 17 15 4 16 +90.d0 +180.d0