$mol = bless( { 'atoms' => [ bless( { 'Z' => 6, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 1 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 0.000', ' 0.000', ' 0.000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a1', 'name' => 'C1', 'parent' => {}, 'symbol' => 'C' }, 'Chemistry::Atom' ), bless( { 'Z' => 6, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 2 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 1.391', ' 0.000', ' 0.000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a2', 'name' => 'C2', 'parent' => {}, 'symbol' => 'C' }, 'Chemistry::Atom' ), bless( { 'Z' => 8, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 3 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 1.930', ' 0.936', ' 0.000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a3', 'name' => 'O1', 'parent' => {}, 'symbol' => 'O' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 4 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 1.478', ' 1.916', ' 0.000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a4', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 5 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 1.702', ' -0.539', ' 0.882' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a5', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 6 }, 'bonds' => [], 'coords' => bless( [ [ [ ' 1.701', ' -0.539', ' -0.882' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a6', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 7 }, 'bonds' => [], 'coords' => bless( [ [ [ ' -0.361', ' 0.000', ' -1.018' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a7', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 8 }, 'bonds' => [], 'coords' => bless( [ [ [ ' -0.360', ' -0.882', ' 0.510' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a8', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), bless( { 'Z' => 1, 'attr' => { 'pdb/residue' => {}, 'pdb/residue_name' => 'MOL1', 'pdb/serial_number' => 9 }, 'bonds' => [], 'coords' => bless( [ [ [ ' -0.360', ' 0.882', ' 0.509' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a9', 'name' => 'H', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ) ], 'bonds' => [], 'byId' => { 'a1' => {}, 'a2' => {}, 'a3' => {}, 'a4' => {}, 'a5' => {}, 'a6' => {}, 'a7' => {}, 'a8' => {}, 'a9' => {} }, 'id' => 'mol1', 'name' => '' }, 'Chemistry::Mol' ); $mol->{'atoms'}[0]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[0]{'parent'} = $mol; $mol->{'atoms'}[1]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[1]{'parent'} = $mol; $mol->{'atoms'}[2]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[2]{'parent'} = $mol; $mol->{'atoms'}[3]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[3]{'parent'} = $mol; $mol->{'atoms'}[4]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[4]{'parent'} = $mol; $mol->{'atoms'}[5]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[5]{'parent'} = $mol; $mol->{'atoms'}[6]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[6]{'parent'} = $mol; $mol->{'atoms'}[7]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[7]{'parent'} = $mol; $mol->{'atoms'}[8]{'attr'}{'pdb/residue'} = $mol; $mol->{'atoms'}[8]{'parent'} = $mol; $mol->{'byId'}{'a1'} = $mol->{'atoms'}[0]; $mol->{'byId'}{'a2'} = $mol->{'atoms'}[1]; $mol->{'byId'}{'a3'} = $mol->{'atoms'}[2]; $mol->{'byId'}{'a4'} = $mol->{'atoms'}[3]; $mol->{'byId'}{'a5'} = $mol->{'atoms'}[4]; $mol->{'byId'}{'a6'} = $mol->{'atoms'}[5]; $mol->{'byId'}{'a7'} = $mol->{'atoms'}[6]; $mol->{'byId'}{'a8'} = $mol->{'atoms'}[7]; $mol->{'byId'}{'a9'} = $mol->{'atoms'}[8];