C,1,56.7,s,
O,2,,,
C,3,167.56,s,
C,4,127.06,s,
C,5,61.74,s,
C,6,34.93,s,
C,7,22.4,s,
C,8,49.25,s,
N,9,,,
C,10,49.76,s,
C,11,32.98,s,
C,12,138.21,s,
C,13,110.47,s,
C,14,147.78,s,
C,15,146.95,s,
C,16,109.92,s,
C,17,142.78,s,
C,18,40.4,s,
C,19,77.5,s,
O,20,,,
C,21,170.09,s,
C,22,21.04,s,
O,23,,,
O,24,,,
C,25,100.2,s,
O,26,,,
H,27,3.67,s,
H,28,3.67,s,
H,29,3.67,s,
H,30,6.36,s,
H,31,1.99,ddd,"12.4,9.9,2.0"
H,32,1.99,ddd,"12.4,10.8,10.0"
H,33,2.25,m,
H,34,2.25,m,
H,35,2.25,ddd,"11.2,9.4,6.1"
H,36,2.25,ddd,"10.7,9.4,4.4"
H,37,3.34,ddd,"12.4,7.3,1.3"
H,38,3.34,ddd,"12.4,10.2,7.9"
H,39,2.91,ddd,"13.4,10.2,7.3"
H,40,2.91,ddd,"13.4,7.9,1.3"
H,41,6.68,d,0.5
H,42,6.62,d,0.5
H,43,2.83,d,5.8
H,44,4.52,d,5.8
H,45,2.04,s,
H,46,2.04,s,
H,47,2.04,s,
H,48,5.88,s,
H,49,5.88,s,
