C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,51.05,s,
C,7,17.85,s,
C,8,107.48,s,
C,9,134.37,s,
N,10,,,
C,11,136.01,s,
C,12,110.86,s,
C,13,121.27,s,
C,14,119.48,s,
C,15,118.0,s,
C,16,127.42,s,
C,17,53.3,s,
C,18,20.5,s,
C,19,38.9,s,
C,20,132.07,s,
C,21,141.72,s,
N,22,,,
C,23,149.93,s,
C,24,110.86,s,
C,25,129.93,s,
C,26,119.9,s,
C,27,122.0,s,
C,28,133.6,s,
C,29,52.77,s,
C,30,42.57,s,
C,31,50.96,s,
N,32,,,
C,33,52.94,s,
C,34,142.04,s,
C,35,120.71,s,
C,36,12.85,s,
C,37,31.54,s,
C,38,26.77,s,
C,39,60.23,s,
C,40,47.72,s,
C,41,77.16,s,
O,42,,,
C,43,61.05,s,
H,44,1.67,d,7.0
H,45,1.67,d,7.0
H,46,1.67,d,7.0
H,47,5.45,q,7.0
H,48,3.31,s,
H,49,3.31,s,
H,50,3.04,ddd,"12.4,9.0,1.5"
H,51,3.04,ddd,"12.4,10.2,7.7"
H,52,2.62,ddd,"15.4,7.7,1.5"
H,53,2.62,ddd,"15.4,10.2,9.0"
H,54,,,
H,55,7.32,ddd,"7.3,1.4,0.5"
H,56,7.18,ddd,"7.3,6.4,1.4"
H,57,7.13,ddd,"6.8,6.4,1.4"
H,58,7.48,ddd,"6.8,1.4,0.5"
H,59,5.19,dd,"7.2,1.7"
H,60,2.21,ddd,"12.4,11.3,1.7"
H,61,2.21,ddd,"12.4,7.2,7.0"
H,62,2.83,dd,"11.3,7.0"
H,63,7.61,s,
H,64,7.32,ddd,"8.0,1.4,0.5"
H,65,7.43,ddd,"8.0,7.9,1.4"
H,66,7.04,ddd,"9.0,7.9,1.4"
H,67,7.11,ddd,"9.0,1.4,0.5"
H,68,1.85,ddd,"12.4,10.5,9.1"
H,69,1.85,ddd,"12.4,8.3,1.3"
H,70,3.01,ddd,"9.4,9.1,1.3"
H,71,3.01,ddd,"10.5,9.4,8.3"
H,72,3.31,s,
H,73,3.31,s,
H,74,5.45,q,7.0
H,75,1.65,d,7.0
H,76,1.65,d,7.0
H,77,1.65,d,7.0
H,78,3.12,ddd,"5.5,5.2,3.2"
H,79,1.88,ddd,"12.4,5.2,2.8"
H,80,1.88,ddd,"12.4,3.2,2.6"
H,81,3.91,dd,"2.8,2.6"
H,82,1.24,ddd,"12.1,8.2,5.5"
H,83,4.19,d,12.1
H,84,,,
H,85,3.54,d,8.2
