C,1,25.1,s,
C,2,63.8,s,
O,3,,,
C,4,147.4,s,
C,5,93.7,s,
C,6,136.3,s,
N,7,,,
C,8,161.1,s,
O,9,,,
C,10,149.0,s,
O,11,,,
C,12,40.2,s,
C,13,19.1,s,
C,14,114.4,s,
C,15,127.7,s,
N,16,,,
C,17,138.7,s,
C,18,112.0,s,
C,19,124.6,s,
C,20,120.0,s,
C,21,119.85,s,
C,22,125.35,s,
H,23,1.5,d,6.3
H,24,1.5,d,6.3
H,25,1.5,d,6.3
H,26,5.31,q,6.3
H,27,,,
H,28,7.23,s,
H,29,,,
H,30,4.37,ddd,"12.4,12.3,2.3"
H,31,4.37,ddd,"12.7,12.4,5.9"
H,32,3.1,ddd,"15.4,12.3,5.9"
H,33,3.1,ddd,"15.4,12.7,2.3"
H,34,,,
H,35,7.47,ddd,"7.2,1.4,0.5"
H,36,7.18,ddd,"7.8,7.2,1.4"
H,37,7.13,ddd,"7.8,6.8,1.4"
H,38,7.64,ddd,"6.8,1.4,0.5"
