C,1,12.73,s,
C,2,120.68,s,
C,3,140.47,s,
C,4,52.94,s,
N,5,,,
C,6,51.91,s,
C,7,38.94,s,
C,8,41.86,s,
C,9,134.28,s,
C,10,124.58,s,
C,11,122.44,s,
C,12,131.17,s,
C,13,116.11,s,
C,14,142.35,s,
N,15,,,
C,16,37.35,s,
C,17,92.26,s,
O,18,,,
C,19,72.44,s,
C,20,41.86,s,
C,21,174.33,s,
O,22,,,
O,23,,,
C,24,52.29,s,
C,25,47.74,s,
C,26,35.12,s,
C,27,52.0,s,
H,28,1.6,d,7.0
H,29,1.6,d,7.0
H,30,1.6,d,7.0
H,31,5.5,q,7.0
H,32,3.31,s,
H,33,3.31,s,
H,34,2.64,ddd,"12.4,9.6,7.1"
H,35,2.64,ddd,"12.4,10.3,2.0"
H,36,2.18,ddd,"12.4,10.3,7.1"
H,37,2.18,ddd,"12.4,9.6,2.0"
H,38,7.25,ddd,"10.0,1.4,0.5"
H,39,6.94,ddd,"10.0,7.0,1.4"
H,40,7.43,ddd,"9.2,7.0,1.4"
H,41,7.32,ddd,"9.2,1.4,0.5"
H,42,2.58,s,
H,43,2.58,s,
H,44,2.58,s,
H,45,4.13,s,
H,46,4.13,s,
H,47,3.63,s,
H,48,3.63,s,
H,49,3.63,s,
H,50,2.94,dd,"3.0,2.6"
H,51,2.05,ddd,"12.4,3.0,2.7"
H,52,2.05,ddd,"12.4,3.7,2.6"
H,53,4.28,dd,"3.7,2.7"
