C,1,113.21,s,
C,2,145.33,s,
C,3,39.69,s,
C,4,28.15,s,
C,5,28.15,s,
C,6,140.19,s,
N,7,,,
C,8,142.9,s,
C,9,111.0,s,
C,10,137.5,s,
C,11,34.6,s,
C,12,124.0,s,
C,13,132.8,s,
C,14,21.95,s,
C,15,21.95,s,
C,16,121.0,s,
C,17,124.91,s,
C,18,126.19,s,
C,19,102.9,s,
C,20,112.3,s,
C,21,124.1,s,
N,22,,,
C,23,155.84,s,
O,24,,,
C,25,155.84,s,
O,26,,,
N,27,,,
C,28,159.19,s,
O,29,,,
H,30,5.2,dd,"16.0,2.5"
H,31,5.2,dd,"12.0,2.5"
H,32,6.01,dd,"16.0,12.0"
H,33,1.55,s,
H,34,1.55,s,
H,35,1.55,s,
H,36,1.55,s,
H,37,1.55,s,
H,38,1.55,s,
H,39,,,
H,40,7.48,dd,"1.9,0.5"
H,41,2.98,d,7.0
H,42,2.98,d,7.0
H,43,5.09,t,7.0
H,44,1.67,s,
H,45,1.67,s,
H,46,1.67,s,
H,47,1.67,s,
H,48,1.67,s,
H,49,1.67,s,
H,50,7.56,dd,"7.2,1.9"
H,51,8.09,dd,"7.2,0.5"
H,52,7.07,s,
H,53,9.82,s,
H,54,9.39,s,
