$mol = bless( { 'atoms' => [ bless( { 'Z' => 17, 'bonds' => [ { 'bond' => bless( { 'atoms' => [ {}, bless( { 'Z' => 6, 'bonds' => [ { 'bond' => bless( { 'atoms' => [ bless( { 'Z' => 1, 'bonds' => [ { 'bond' => {}, 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.0860', ' -0.5229', ' -0.9277' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a6', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), {} ], 'id' => 'b3', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} }, { 'bond' => bless( { 'atoms' => [ bless( { 'Z' => 1, 'bonds' => [ { 'bond' => {}, 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.0837', ' -0.5492', ' 0.9128' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a7', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ), {} ], 'id' => 'b4', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} }, { 'bond' => {}, 'to' => {} }, { 'bond' => bless( { 'atoms' => [ {}, bless( { 'Z' => 6, 'bonds' => [ { 'bond' => bless( { 'atoms' => [ {}, bless( { 'Z' => 8, 'bonds' => [ { 'bond' => {}, 'to' => {} }, { 'bond' => bless( { 'atoms' => [ {}, bless( { 'Z' => 1, 'bonds' => [ { 'bond' => {}, 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.9125', ' 2.7823', ' 1.1712' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a8', 'parent' => {}, 'symbol' => 'H' }, 'Chemistry::Atom' ) ], 'id' => 'b2', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.5849', ' 1.8697', ' 1.2392' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a5', 'parent' => {}, 'symbol' => 'O' }, 'Chemistry::Atom' ) ], 'id' => 'b1', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} }, { 'bond' => bless( { 'atoms' => [ bless( { 'Z' => 8, 'bonds' => [ { 'bond' => {}, 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.4777', ' 2.1483', ' -0.9572' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a4', 'parent' => {}, 'symbol' => 'O' }, 'Chemistry::Atom' ), {} ], 'id' => 'b5', 'order' => '2', 'parent' => {}, 'type' => '2' }, 'Chemistry::Bond' ), 'to' => {} }, { 'bond' => {}, 'to' => {} } ], 'coords' => bless( [ [ [ ' 2.2735', ' 1.4000', ' 0.0000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a3', 'parent' => {}, 'symbol' => 'C' }, 'Chemistry::Atom' ) ], 'id' => 'b7', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} } ], 'coords' => bless( [ [ [ ' 1.7451', ' 0.0000', ' 0.0000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a2', 'parent' => {}, 'symbol' => 'C' }, 'Chemistry::Atom' ) ], 'id' => 'b6', 'order' => '1', 'parent' => {}, 'type' => '1' }, 'Chemistry::Bond' ), 'to' => {} } ], 'coords' => bless( [ [ [ ' 0.0000', ' 0.0000', ' 0.0000' ] ], 1, 3 ], 'Math::VectorReal' ), 'id' => 'a1', 'parent' => {}, 'symbol' => 'Cl' }, 'Chemistry::Atom' ), {}, {}, {}, {}, {}, {}, {} ], 'attr' => { 'mdlmol/comment' => '', 'mdlmol/line2' => ' perlmol ' }, 'bonds' => [ {}, {}, {}, {}, {}, {}, {} ], 'byId' => { 'a1' => {}, 'a2' => {}, 'a3' => {}, 'a4' => {}, 'a5' => {}, 'a6' => {}, 'a7' => {}, 'a8' => {}, 'b1' => {}, 'b2' => {}, 'b3' => {}, 'b4' => {}, 'b5' => {}, 'b6' => {}, 'b7' => {} }, 'id' => 'mol1', 'name' => '' }, 'Chemistry::Mol' ); $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[0] = $mol->{'atoms'}[0]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]{'bonds'}[0]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'bonds'}[0]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[2]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[2]{'to'} = $mol->{'atoms'}[0]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[0] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'bonds'}[0]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[2]{'bond'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[2]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'parent'} = $mol; $mol->{'atoms'}[0]{'bonds'}[0]{'to'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[0]{'parent'} = $mol; $mol->{'atoms'}[1] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[2] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[3] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[4] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'atoms'}[5] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[6] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'atoms'}[7] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]; $mol->{'bonds'}[0] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'bonds'}[1] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'bonds'}[2] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'bonds'}[3] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'bonds'}[4] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'bonds'}[5] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}; $mol->{'bonds'}[6] = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}; $mol->{'byId'}{'a1'} = $mol->{'atoms'}[0]; $mol->{'byId'}{'a2'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'byId'}{'a3'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]; $mol->{'byId'}{'a4'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'byId'}{'a5'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]; $mol->{'byId'}{'a6'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[0]; $mol->{'byId'}{'a7'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[0]; $mol->{'byId'}{'a8'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}{'atoms'}[1]; $mol->{'byId'}{'b1'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'byId'}{'b2'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'byId'}{'b3'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[0]{'bond'}; $mol->{'byId'}{'b4'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'byId'}{'b5'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'}{'atoms'}[1]{'bonds'}[1]{'bond'}; $mol->{'byId'}{'b6'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}; $mol->{'byId'}{'b7'} = $mol->{'atoms'}[0]{'bonds'}[0]{'bond'}{'atoms'}[1]{'bonds'}[3]{'bond'};