C,1,53.1,s,
O,2,,,
C,3,172.75,s,
O,4,,,
C,5,77.48,s,
C,6,46.67,s,
C,7,43.12,s,
C,8,130.76,s,
C,9,124.33,s,
C,10,50.96,s,
N,11,,,
C,12,51.33,s,
C,13,38.94,s,
C,14,41.86,s,
C,15,134.28,s,
C,16,124.58,s,
C,17,122.44,s,
C,18,127.9,s,
C,19,110.5,s,
C,20,147.5,s,
N,21,,,
C,22,92.26,s,
O,23,,,
C,24,74.2,s,
C,25,88.23,s,
C,26,18.37,s,
O,27,,,
H,28,3.81,s,
H,29,3.81,s,
H,30,3.81,s,
H,31,2.06,s,
H,32,2.06,s,
H,33,6.3,d,11.0
H,34,5.59,ddd,"11.0,5.0,2.8"
H,35,4.04,dd,"15.4,2.8"
H,36,4.04,dd,"15.4,5.0"
H,37,3.11,ddd,"11.5,9.4,7.8"
H,38,3.11,ddd,"9.4,9.1,1.1"
H,39,2.18,ddd,"12.4,11.5,9.1"
H,40,2.18,ddd,"12.4,7.8,1.1"
H,41,7.25,ddd,"6.7,1.4,0.5"
H,42,6.94,ddd,"9.1,6.7,1.4"
H,43,7.22,ddd,"9.1,7.2,1.4"
H,44,7.15,ddd,"7.2,1.4,0.5"
H,45,,,
H,46,,,
H,47,4.28,s,
H,48,4.52,q,6.2
H,49,1.31,d,6.2
H,50,1.31,d,6.2
H,51,1.31,d,6.2
