O,1,,,
C,2,162.36,s,
N,3,,,
C,4,48.69,s,
C,5,27.53,s,
C,6,111.29,s,
C,7,118.8,s,
N,8,,,
C,9,134.46,s,
C,10,112.23,s,
C,11,115.93,s,
C,12,156.64,s,
C,13,126.16,s,
C,14,126.18,s,
C,15,40.4,s,
C,16,84.73,s,
C,17,134.24,s,
C,18,119.23,s,
C,19,107.99,s,
C,20,147.1,s,
C,21,147.49,s,
C,22,106.85,s,
O,23,,,
C,24,101.07,s,
O,25,,,
O,26,,,
H,27,,,
H,28,3.5,ddd,"12.4,3.9,3.7"
H,29,3.5,td,"12.4,0.2"
H,30,3.08,ddd,"15.4,12.4,3.9"
H,31,3.08,ddd,"15.4,3.7,0.2"
H,32,7.03,s,
H,33,,,
H,34,7.32,d,7.2
H,35,6.91,d,7.2
H,36,2.83,d,10.1
H,37,5.44,d,10.1
H,38,7.13,dd,"7.5,1.9"
H,39,6.84,dd,"7.5,0.5"
H,40,6.9,dd,"1.9,0.5"
H,41,5.98,s,
H,42,5.98,s,
