   atom C1 C based-on 1 O2 1 C2 1 C1 bond-length: 1.43725 angle: 115.24604 tors:  150.44
   atom C2 C based-on 0 C1 1 O2 1 C2 bond-length: 1.52044 angle: 107.76593 tors:  166.
   atom C3 C based-on 0 C2 0 C1 1 O2 bond-length: 1.52094 angle: 108.22451 tors:   62.
   atom C4 C based-on 0 C3 0 C2 0 C1 bond-length: 1.52374 angle: 108.62584 tors:   58.
   atom C5 C based-on 0 C4 0 C3 0 C2 bond-length: 1.52583 angle: 109.69168 tors:  -58.
   atom O5 O based-on 0 C5 0 C4 0 C3 bond-length: 1.41358 angle: 109.97146 tors:   59.3
