C,1,15.9,s,
C,2,40.01,s,
C,3,35.12,s,
C,4,74.36,s,
O,5,,,
C,6,77.48,s,
O,7,,,
C,8,79.85,s,
C,9,41.86,s,
C,10,23.79,s,
C,11,77.48,s,
C,12,25.81,s,
O,13,,,
C,14,87.15,s,
O,15,,,
C,16,43.16,s,
C,17,172.04,s,
O,18,,,
O,19,,,
C,20,80.8,s,
C,21,50.9,s,
H,22,1.0,d,6.6
H,23,1.0,d,6.6
H,24,1.0,d,6.6
H,25,1.93,dqd,"10.6,6.6,5.2"
H,26,1.88,ddd,"12.4,10.6,1.2"
H,27,1.88,ddd,"12.4,7.5,5.2"
H,28,4.08,dd,"7.5,1.2"
H,29,,,
H,30,4.57,s,
H,31,4.57,s,
H,32,1.13,s,
H,33,1.13,s,
H,34,1.13,s,
H,35,1.4,s,
H,36,1.4,s,
H,37,1.4,s,
H,38,,,
H,39,,,
H,40,3.01,s,
H,41,3.01,s,
H,42,2.05,s,
H,43,2.05,s,
