C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.67,s,
N,5,,,
C,6,173.63,s,
O,7,,,
C,8,53.0,s,
C,9,134.28,s,
C,10,124.58,s,
C,11,122.44,s,
C,12,129.29,s,
C,13,117.81,s,
C,14,141.74,s,
N,15,,,
O,16,,,
C,17,62.63,s,
C,18,38.34,s,
C,19,62.1,s,
C,20,40.4,s,
C,21,70.43,s,
O,22,,,
C,23,78.41,s,
C,24,35.12,s,
C,25,42.38,s,
H,26,1.65,d,7.0
H,27,1.65,d,7.0
H,28,1.65,d,7.0
H,29,5.45,q,7.0
H,30,3.82,s,
H,31,3.82,s,
H,32,7.25,ddd,"10.1,1.4,0.5"
H,33,6.94,ddd,"10.1,7.3,1.4"
H,34,7.31,ddd,"8.1,7.3,1.4"
H,35,7.24,ddd,"8.1,1.4,0.5"
H,36,,,
H,37,4.0,s,
H,38,4.0,s,
H,39,4.0,s,
H,40,2.15,dd,"12.4,0.4"
H,41,2.15,dd,"12.4,5.3"
H,42,3.6,ddd,"9.6,5.3,0.4"
H,43,2.83,m,
H,44,4.04,dd,"9.4,2.2"
H,45,4.04,dd,"9.4,3.0"
H,46,4.77,dd,"7.4,1.5"
H,47,1.88,ddd,"12.4,11.0,7.4"
H,48,1.88,ddd,"12.4,4.5,1.5"
H,49,2.99,ddd,"11.0,4.5,3.7"
