C,1,18.0,s,
C,2,69.92,s,
O,3,,,
C,4,98.87,s,
O,5,,,
C,6,77.56,s,
C,7,27.87,s,
C,8,27.87,s,
C,9,136.9,s,
C,10,133.81,s,
C,11,120.45,s,
C,12,125.45,s,
C,13,126.02,s,
C,14,132.02,s,
C,15,142.9,s,
N,16,,,
C,17,142.9,s,
C,18,132.02,s,
C,19,130.04,s,
C,20,134.0,s,
C,21,129.65,s,
C,22,166.25,s,
O,23,,,
O,24,,,
C,25,142.82,s,
N,26,,,
C,27,142.82,s,
C,28,74.85,s,
O,29,,,
C,30,72.19,s,
O,31,,,
C,32,73.91,s,
O,33,,,
H,34,1.27,d,6.1
H,35,1.27,d,6.1
H,36,1.27,d,6.1
H,37,3.81,dq,"7.9,6.1"
H,38,5.09,d,2.5
H,39,1.45,s,
H,40,1.45,s,
H,41,1.45,s,
H,42,1.45,s,
H,43,1.45,s,
H,44,1.45,s,
H,45,5.99,d,15.0
H,46,7.31,d,15.0
H,47,7.56,dd,"7.0,1.4"
H,48,7.22,dd,"7.5,7.0"
H,49,7.78,dd,"7.5,1.4"
H,50,7.78,dd,"8.2,1.4"
H,51,7.22,dd,"8.2,7.2"
H,52,8.03,dd,"7.2,1.4"
H,53,,,
H,54,3.78,dd,"9.8,2.5"
H,55,,,
H,56,3.96,t,9.8
H,57,,,
H,58,3.91,dd,"9.8,7.9"
H,59,,,
