C,1,56.1,s,
O,2,,,
C,3,154.7,s,
C,4,111.4,s,
C,5,126.82,s,
C,6,139.8,s,
C,7,131.33,s,
C,8,127.5,s,
C,9,126.71,s,
C,10,131.33,s,
C,11,139.8,s,
C,12,126.82,s,
C,13,116.48,s,
C,14,151.86,s,
O,15,,,
C,16,40.92,s,
C,17,65.13,s,
C,18,129.88,s,
C,19,110.33,s,
C,20,148.66,s,
C,21,148.66,s,
C,22,110.47,s,
C,23,126.18,s,
C,24,25.2,s,
C,25,46.63,s,
N,26,,,
C,27,42.27,s,
O,28,,,
C,29,137.25,s,
C,30,136.3,s,
O,31,,,
C,32,61.6,s,
C,33,147.5,s,
O,34,,,
C,35,125.03,s,
C,36,125.15,s,
C,37,145.43,s,
O,38,,,
C,39,59.05,s,
C,40,40.92,s,
N,41,,,
C,42,42.23,s,
C,43,50.18,s,
C,44,23.0,s,
H,45,3.7,s,
H,46,3.7,s,
H,47,3.7,s,
H,48,7.0,dd,"7.7,0.5"
H,49,6.92,dd,"7.7,1.9"
H,50,7.61,dt,"1.9,0.5"
H,51,7.61,dt,"1.9,0.5"
H,52,6.92,dd,"8.3,1.9"
H,53,6.72,dd,"8.3,0.5"
H,54,,,
H,55,3.01,dd,"15.4,12.6"
H,56,3.01,dd,"15.4,6.0"
H,57,4.39,dd,"12.6,6.0"
H,58,6.64,d,0.5
H,59,6.68,d,0.5
H,60,2.85,ddd,"15.4,11.1,6.0"
H,61,2.85,ddd,"15.4,10.3,1.9"
H,62,2.78,ddd,"12.4,11.1,1.9"
H,63,2.78,ddd,"12.4,10.3,6.0"
H,64,2.54,s,
H,65,2.54,s,
H,66,2.54,s,
H,67,3.83,s,
H,68,3.83,s,
H,69,3.83,s,
H,70,,,
H,71,4.39,dd,"6.0,4.4"
H,72,3.01,dd,"15.4,4.4"
H,73,3.01,dd,"15.4,6.0"
H,74,2.53,s,
H,75,2.53,s,
H,76,2.53,s,
H,77,2.78,ddd,"12.4,10.0,8.8"
H,78,2.78,ddd,"12.4,10.3,0.6"
H,79,2.59,ddd,"15.4,10.0,0.6"
H,80,2.59,ddd,"15.4,10.3,8.8"
