C,1,14.3,s,
C,2,49.36,s,
C,3,87.14,s,
C,4,133.68,s,
C,5,128.58,s,
C,6,116.01,s,
C,7,158.32,s,
O,8,,,
C,9,116.01,s,
C,10,128.58,s,
O,11,,,
C,12,84.4,s,
C,13,134.24,s,
C,14,119.49,s,
C,15,117.63,s,
C,16,147.94,s,
O,17,,,
C,18,147.76,s,
O,19,,,
C,20,114.55,s,
C,21,45.2,s,
C,22,14.9,s,
H,23,0.99,d,6.6
H,24,0.99,d,6.6
H,25,0.99,d,6.6
H,26,2.01,ddq,"11.1,9.0,6.6"
H,27,5.44,d,9.0
H,28,7.01,ddd,"7.4,1.9,0.5"
H,29,6.7,ddd,"7.4,1.9,0.5"
H,30,,,
H,31,6.7,ddd,"8.5,1.9,0.5"
H,32,7.01,ddd,"8.5,1.9,0.5"
H,33,5.44,d,10.8
H,34,7.16,dd,"8.8,1.9"
H,35,6.75,dd,"8.8,0.5"
H,36,,,
H,37,,,
H,38,6.95,dd,"1.9,0.5"
H,39,2.01,ddq,"11.1,10.8,6.6"
H,40,0.99,d,6.6
H,41,0.99,d,6.6
H,42,0.99,d,6.6
