C,1,112.49,s,
C,2,145.56,s,
C,3,41.86,s,
C,4,60.05,s,
N,5,,,
C,6,58.89,s,
O,7,,,
C,8,71.0,s,
C,9,35.7,s,
C,10,41.86,s,
C,11,157.99,s,
N,12,,,
C,13,156.48,s,
C,14,120.77,s,
C,15,128.7,s,
C,16,122.44,s,
C,17,124.58,s,
C,18,134.28,s,
C,19,78.0,s,
C,20,35.12,s,
C,21,50.54,s,
C,22,40.4,s,
C,23,70.43,s,
O,24,,,
H,25,4.9,dd,"12.0,2.5"
H,26,4.9,dd,"16.0,2.5"
H,27,5.85,dd,"16.0,12.0"
H,28,4.28,s,
H,29,4.28,s,
H,30,3.14,s,
H,31,3.14,s,
H,32,3.14,s,
H,33,4.01,ddd,"4.1,3.7,1.5"
H,34,2.05,dd,"12.4,4.1"
H,35,2.05,dd,"12.4,1.5"
H,36,7.52,ddd,"7.5,1.4,0.5"
H,37,7.33,ddd,"8.8,7.5,1.4"
H,38,6.94,ddd,"8.8,7.2,1.4"
H,39,7.25,ddd,"7.2,1.4,0.5"
H,40,4.52,dd,"3.9,2.2"
H,41,1.88,ddd,"12.4,4.6,3.9"
H,42,1.88,ddd,"12.4,2.2,2.0"
H,43,1.61,ddd,"9.5,4.6,2.0"
H,44,2.83,m,
H,45,4.04,dd,"9.4,3.1"
H,46,4.04,dd,"9.4,1.9"
