C,1,39.2,s,
N,2,,,
C,3,59.9,s,
C,4,25.37,s,
C,5,25.37,s,
C,6,59.9,s,
C,7,36.4,s,
C,8,68.0,s,
O,9,,,
C,10,172.96,s,
O,11,,,
C,12,44.0,s,
C,13,28.16,s,
C,14,35.28,s,
C,15,41.86,s,
C,16,174.33,s,
O,17,,,
O,18,,,
C,19,66.91,s,
C,20,35.73,s,
C,21,61.55,s,
C,22,25.37,s,
C,23,25.37,s,
C,24,61.55,s,
C,25,35.73,s,
N,26,,,
C,27,39.2,s,
C,28,145.58,s,
C,29,126.22,s,
C,30,128.25,s,
C,31,126.69,s,
C,32,128.25,s,
C,33,126.22,s,
C,34,146.19,s,
C,35,123.73,s,
C,36,127.94,s,
C,37,127.3,s,
C,38,124.69,s,
C,39,142.78,s,
C,40,36.4,s,
H,41,2.25,s,
H,42,2.25,s,
H,43,2.25,s,
H,44,3.18,m,
H,45,2.03,m,
H,46,2.03,m,
H,47,2.03,m,
H,48,2.03,m,
H,49,3.18,m,
H,50,2.13,ddd,"12.4,6.5,3.0"
H,51,2.13,ddd,"12.4,10.4,2.5"
H,52,5.03,m,
H,53,3.44,dd,"12.7,6.4"
H,54,1.58,m,
H,55,1.58,tdd,"12.7,12.4,0.8"
H,56,1.72,ddd,"12.4,4.8,0.8"
H,57,1.72,ddd,"12.7,12.4,1.8"
H,58,5.14,m,
H,59,2.13,ddd,"12.4,7.7,3.8"
H,60,2.13,ddd,"12.4,8.7,2.7"
H,61,3.18,m,
H,62,2.03,m,
H,63,2.03,m,
H,64,2.03,m,
H,65,2.03,m,
H,66,3.18,m,
H,67,2.13,ddd,"12.4,7.4,4.7"
H,68,2.13,ddd,"12.4,8.8,2.5"
H,69,2.25,s,
H,70,2.25,s,
H,71,2.25,s,
H,72,7.23,m,
H,73,7.3,m,
H,74,7.24,ddt,"9.0,7.3,1.4"
H,75,7.3,m,
H,76,7.23,m,
H,77,7.11,ddd,"9.9,1.4,0.5"
H,78,7.37,ddd,"9.9,7.5,1.4"
H,79,7.27,ddd,"8.7,7.5,1.4"
H,80,7.41,ddd,"8.7,1.4,0.5"
H,81,2.13,ddd,"12.4,7.9,2.2"
H,82,2.13,ddd,"12.4,9.2,3.5"
