( S2 )( S1 )( H )( S4 )( S3 ) 55.18 0.55 ( S2 S1 )( H )( S4 )( S3 ) 22.15 0.70 ( S2 S1 S3 )( H )( S4 ) -3.62 0.76 ( S2 S1 S4 S3 )( H ) -35.44 0.87 ( S2 S1 H S4 S3 ) -76.60 1.00