C,1,22.26,s,
C,2,25.0,s,
C,3,22.26,s,
C,4,36.71,s,
C,5,59.23,s,
C,6,169.38,s,
O,7,,,
N,8,,,
C,9,56.69,s,
C,10,29.2,s,
C,11,109.83,s,
C,12,123.31,s,
N,13,,,
C,14,136.07,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,119.23,s,
C,18,118.23,s,
C,19,127.21,s,
C,20,167.2,s,
O,21,,,
N,22,,,
C,23,32.6,s,
H,24,0.73,d,6.4
H,25,0.73,d,6.4
H,26,0.73,d,6.4
H,27,1.8,m,"6.4,5.9"
H,28,0.73,d,6.4
H,29,0.73,d,6.4
H,30,0.73,d,6.4
H,31,1.23,dd,"6.4,5.9"
H,32,1.23,dd,"6.4,5.9"
H,33,4.49,t,6.4
H,34,7.32,d,7.0
H,35,4.23,dt,"7.0,6.3"
H,36,3.35,d,6.3
H,37,3.35,d,6.3
H,38,7.31,d,0.5
H,39,,,
H,40,7.34,ddd,"7.3,1.4,0.5"
H,41,7.14,ddd,"8.0,7.3,1.4"
H,42,7.01,ddd,"8.0,7.8,1.4"
H,43,7.57,ddt,"7.8,1.4,0.5"
H,44,2.91,s,
H,45,2.91,s,
H,46,2.91,s,
