C,1,55.45,s,
O,2,,,
C,3,146.35,s,
C,4,112.5,s,
C,5,126.03,s,
C,6,129.88,s,
C,7,111.9,s,
C,8,147.0,s,
O,9,,,
C,10,145.43,s,
C,11,139.54,s,
O,12,,,
C,13,60.99,s,
C,14,153.49,s,
O,15,,,
C,16,56.23,s,
C,17,110.47,s,
C,18,124.1,s,
C,19,129.11,s,
C,20,59.05,s,
C,21,40.92,s,
C,22,139.8,s,
C,23,126.82,s,
C,24,111.4,s,
C,25,154.7,s,
O,26,,,
C,27,56.1,s,
C,28,127.5,s,
C,29,131.33,s,
C,30,126.71,s,
C,31,131.33,s,
C,32,139.8,s,
C,33,126.82,s,
C,34,116.48,s,
C,35,151.86,s,
O,36,,,
C,37,40.92,s,
C,38,65.13,s,
N,39,,,
C,40,42.27,s,
C,41,46.63,s,
C,42,25.52,s,
N,43,,,
C,44,42.23,s,
C,45,43.84,s,
C,46,23.3,s,
H,47,3.8,s,
H,48,3.8,s,
H,49,3.8,s,
H,50,6.55,d,0.5
H,51,6.64,d,0.5
H,52,3.81,s,
H,53,3.81,s,
H,54,3.81,s,
H,55,3.87,s,
H,56,3.87,s,
H,57,3.87,s,
H,58,6.46,s,
H,59,4.39,dd,"9.4,8.7"
H,60,3.01,dd,"15.4,9.4"
H,61,3.01,dd,"15.4,8.7"
H,62,6.92,dd,"6.8,1.9"
H,63,7.0,dd,"6.8,0.5"
H,64,3.7,s,
H,65,3.7,s,
H,66,3.7,s,
H,67,7.61,dt,"1.9,0.5"
H,68,7.61,dt,"1.9,0.5"
H,69,6.92,dd,"7.3,1.9"
H,70,6.72,dd,"7.3,0.5"
H,71,,,
H,72,3.01,dd,"15.4,7.9"
H,73,3.01,dd,"15.4,10.4"
H,74,4.39,dd,"10.4,7.9"
H,75,2.54,s,
H,76,2.54,s,
H,77,2.54,s,
H,78,2.78,ddd,"12.4,12.0,6.5"
H,79,2.78,ddd,"12.4,5.7,1.4"
H,80,2.85,ddd,"15.4,6.5,1.4"
H,81,2.85,ddd,"15.4,12.0,5.7"
H,82,2.53,s,
H,83,2.53,s,
H,84,2.53,s,
H,85,2.78,ddd,"12.4,11.4,7.4"
H,86,2.78,ddd,"12.4,9.1,1.0"
H,87,2.85,ddd,"15.4,11.4,9.1"
H,88,2.85,ddd,"15.4,7.4,1.0"
