1   C04  324.34  {H1, H3}  24.246  {P5, 1.0000}
 1   C18  150.38  {H1, H3}  17.850  {P1, 1.0000}
 1   C28  100.49  {H1}  20.152  {P2, 1.0000}
 2   C41  324.34  {H1, H2, H3}  30.920  {P1, 1.0000}
 1   C26  324.34  {H1}  28.150  {P2, 1.0000}
 1   C37  100.49  {H1, H3}  15.595  {P1, 1.0000}
 1   C13  100.49  {H1, H3}  18.538  {P1, 1.0000}
 1   C22  100.49  {H2}  17.570  {P1, 1.0000}
 1   C04  324.34  {H1, H3}  24.246  {P1, 1.0000}
 2   C04  324.34  {H1, H3}  24.246  {P3, 1.0000}
 1   C13  100.49  {H1, H3}  18.538  {P5, 1.0000}
 1   C36  150.38  {H1, H3}  26.375  {P1, 1.0000}
 1   C14  100.49  {H1, H3}  16.500  {P1, 1.0000}
 1   C04  324.34  {H1, H3}  24.246  {P2, 1.0000}
 1   C26  324.34  {H1}  28.150  {P1, 1.0000}
 1   C02  100.49  {H1}  26.284  {P2, 1.0000}
 2   C02  100.49  {H1}  26.284  {P1, 1.0000}
 1   C24  324.34  {H1, H3}  20.768  {P1, 1.0000}
 1   C16  171.47  {H1}  13.629  {P1, 1.0000}
 4   C15  170.31  {H1}  16.664  {P1, 1.0000}
 1   C27  324.34  {H1}  29.439  {P1, 1.0000}
 1   C12  100.49  {H1, H3}  19.193  {P1, 1.0000}
 3   C08  150.38  {H1}  22.521  {P1, 1.0000}
 1   C06  100.49  {H1, H3}  21.292  {P1, 0.5485}  {P2, 0.3809}  {P3, 0.0706}
 1   C06  100.49  {H1, H3}  21.292  {P1, 0.2751}  {P2, 0.4539}  {P3, 0.2710}
 1   C04  324.34  {H1, H3}  24.246  {P1, 0.5939}  {P2, 0.3152}  {P3, 0.0909}
 1   C20  100.49  {H1, H3}  18.975  {P1, 1.0000}
 2   C10  100.49  {H1}  13.643  {P2, 1.0000}
 1   C35  150.38  {H1}  11.222  {P1, 1.0000}
 1   C27  324.34  {H1}  29.439  {P1, 0.8980}  {P5, 0.1020}