C,1,56.75,s,
O,2,,,
C,3,77.43,s,
C,4,22.38,s,
C,5,125.2,s,
C,6,149.25,s,
N,7,,,
C,8,146.56,s,
C,9,125.85,s,
C,10,165.65,s,
O,11,,,
N,12,,,
C,13,140.3,s,
C,14,117.49,s,
C,15,135.07,s,
C,16,129.37,s,
N,17,,,
C,18,138.7,s,
C,19,112.0,s,
C,20,124.6,s,
C,21,120.0,s,
C,22,119.85,s,
C,23,125.35,s,
C,24,115.5,s,
C,25,19.2,s,
C,26,41.9,s,
H,27,3.1,s,
H,28,3.1,s,
H,29,3.1,s,
H,30,4.84,q,6.2
H,31,1.48,d,6.2
H,32,1.48,d,6.2
H,33,1.48,d,6.2
H,34,8.69,d,0.5
H,35,9.4,d,0.5
H,36,7.07,t,0.5
H,37,,,
H,38,7.47,ddd,"7.4,1.4,0.5"
H,39,7.18,ddd,"8.1,7.4,1.4"
H,40,7.13,ddd,"8.1,7.2,1.4"
H,41,7.64,ddd,"7.2,1.4,0.5"
H,42,3.11,ddd,"15.4,12.8,4.3"
H,43,3.11,ddd,"15.4,12.7,2.1"
H,44,4.34,ddd,"12.7,12.4,4.3"
H,45,4.34,ddd,"12.8,12.4,2.1"
