C,1,32.02,s,
N,2,,,
C,3,165.65,s,
O,4,,,
C,5,120.3,s,
C,6,141.48,s,
C,7,138.43,s,
C,8,122.42,s,
C,9,133.27,s,
C,10,127.34,s,
C,11,126.65,s,
C,12,113.99,s,
C,13,147.69,s,
C,14,126.45,s,
C,15,61.74,s,
C,16,26.69,s,
C,17,26.69,s,
N,18,,,
C,19,162.36,s,
O,20,,,
C,21,30.5,s,
C,22,60.01,s,
C,23,18.81,s,
O,24,,,
C,25,64.86,s,
H,26,3.72,s,
H,27,3.72,s,
H,28,3.72,s,
H,29,7.86,dd,"1.4,0.5"
H,30,7.87,dt,"6.7,1.4"
H,31,7.27,ddd,"7.6,6.7,0.5"
H,32,6.85,dd,"7.6,1.4"
H,33,1.41,s,
H,34,1.41,s,
H,35,1.41,s,
H,36,1.41,s,
H,37,1.41,s,
H,38,1.41,s,
H,39,,,
H,40,2.05,s,
H,41,2.05,s,
H,42,1.38,s,
H,43,1.38,s,
H,44,1.38,s,
H,45,4.16,s,
