C,1,8.66,s,
C,2,29.54,s,
C,3,41.86,s,
C,4,144.6,s,
C,5,124.8,s,
C,6,43.3,s,
N,7,,,
C,8,49.8,s,
C,9,18.46,s,
C,10,108.32,s,
C,11,133.78,s,
N,12,,,
C,13,137.91,s,
C,14,109.7,s,
C,15,121.0,s,
C,16,119.7,s,
C,17,118.3,s,
C,18,128.3,s,
C,19,57.53,s,
C,20,123.84,s,
C,21,127.72,s,
C,22,134.28,s,
C,23,142.9,s,
C,24,101.61,s,
C,25,156.64,s,
O,26,,,
C,27,55.91,s,
N,28,,,
C,29,167.77,s,
C,30,92.77,s,
C,31,168.57,s,
O,32,,,
O,33,,,
C,34,51.23,s,
C,35,42.24,s,
C,36,41.86,s,
C,37,29.54,s,
C,38,8.66,s,
C,39,144.6,s,
C,40,124.8,s,
C,41,50.96,s,
N,42,,,
C,43,51.17,s,
C,44,46.0,s,
C,45,56.37,s,
C,46,71.28,s,
C,47,38.34,s,
C,48,58.84,s,
H,49,0.77,t,7.1
H,50,0.77,t,7.1
H,51,0.77,t,7.1
H,52,1.63,q,7.1
H,53,1.63,q,7.1
H,54,6.3,d,9.5
H,55,5.59,ddd,"9.5,6.2,2.8"
H,56,4.04,dd,"15.4,6.2"
H,57,4.04,dd,"15.4,2.8"
H,58,3.29,ddd,"12.4,10.5,8.9"
H,59,3.29,ddd,"12.4,8.4,1.2"
H,60,2.83,ddd,"15.4,10.5,8.4"
H,61,2.83,ddd,"15.4,8.9,1.2"
H,62,7.54,ddd,"6.6,1.4,0.5"
H,63,7.43,ddd,"8.5,6.6,1.4"
H,64,7.2,ddd,"8.5,6.6,1.4"
H,65,7.5,ddd,"6.6,1.4,0.5"
H,66,7.42,dd,"11.8,4.0"
H,67,7.2,d,0.5
H,68,7.09,d,0.5
H,69,3.84,s,
H,70,3.84,s,
H,71,3.84,s,
H,72,,,
H,73,3.75,s,
H,74,3.75,s,
H,75,3.75,s,
H,76,2.43,s,
H,77,2.43,s,
H,78,1.63,q,7.1
H,79,1.63,q,7.1
H,80,0.77,t,7.1
H,81,0.77,t,7.1
H,82,0.77,t,7.1
H,83,6.3,d,11.0
H,84,5.59,ddd,"11.0,6.0,2.6"
H,85,4.04,dd,"15.4,2.6"
H,86,4.04,dd,"15.4,6.0"
H,87,2.89,ddd,"9.4,7.9,0.8"
H,88,2.89,ddd,"11.6,9.4,6.8"
H,89,1.62,ddd,"12.4,11.6,7.9"
H,90,1.62,ddd,"12.4,6.8,0.8"
H,91,2.67,s,
H,92,2.15,dd,"12.4,4.0"
H,93,2.15,dd,"12.4,11.8"
H,94,4.1,s,
