C,1,17.55,s,
C,2,31.0,s,
C,3,17.55,s,
C,4,72.8,s,
O,5,,,
C,6,177.0,s,
O,7,,,
N,8,,,
C,9,32.0,s,
C,10,57.6,s,
C,11,27.6,s,
C,12,40.3,s,
C,13,135.3,s,
C,14,129.7,s,
C,15,138.6,s,
C,16,128.3,s,
C,17,38.5,s,
C,18,44.2,s,
C,19,7.7,s,
C,20,32.1,s,
C,21,48.0,s,
C,22,11.8,s,
N,23,,,
C,24,40.0,s,
C,25,40.0,s,
C,26,25.2,s,
C,27,33.3,s,
C,28,48.5,s,
C,29,15.8,s,
C,30,49.5,s,
C,31,28.7,s,
C,32,27.0,s,
C,33,45.0,s,
C,34,46.0,s,
C,35,12.5,s,
C,36,64.0,s,
O,37,,,
H,38,0.94,d,6.4
H,39,0.94,d,6.4
H,40,0.94,d,6.4
H,41,1.87,m,"6.4,5.2"
H,42,0.94,d,6.4
H,43,0.94,d,6.4
H,44,0.94,d,6.4
H,45,4.52,d,5.2
H,46,,,
H,47,2.91,s,
H,48,2.91,s,
H,49,2.91,s,
H,50,3.78,dd,"12.6,4.1"
H,51,1.84,m,
H,52,1.84,m,
H,53,2.37,ddd,"15.4,11.5,5.0"
H,54,2.37,ddd,"15.4,12.0,2.7"
H,55,7.39,s,
H,56,5.54,dd,"4.5,3.3"
H,57,2.03,dd,"15.4,4.5"
H,58,2.03,dd,"15.4,3.3"
H,59,1.02,s,
H,60,1.02,s,
H,61,1.02,s,
H,62,1.94,ddd,"12.1,6.2,5.3"
H,63,3.34,qd,"6.3,5.3"
H,64,1.25,d,6.3
H,65,1.25,d,6.3
H,66,1.25,d,6.3
H,67,2.38,s,
H,68,2.38,s,
H,69,2.38,s,
H,70,2.38,s,
H,71,2.38,s,
H,72,2.38,s,
H,73,1.58,m,
H,74,1.58,m,
H,75,1.39,ddd,"12.4,11.9,3.7"
H,76,1.39,ddd,"12.4,11.5,4.7"
H,77,1.02,s,
H,78,1.02,s,
H,79,1.02,s,
H,80,2.68,dd,"9.2,0.8"
H,81,1.46,m,
H,82,1.46,m,
H,83,1.46,m,
H,84,1.46,m,
H,85,2.94,dd,"13.4,4.3"
H,86,1.13,s,
H,87,1.13,s,
H,88,1.13,s,
H,89,3.97,s,
H,90,3.97,s,
H,91,,,
