C,1,38.98,s,
N,2,,,
C,3,162.36,s,
O,4,,,
C,5,40.4,s,
C,6,76.57,s,
O,7,,,
C,8,169.94,s,
C,9,21.13,s,
O,10,,,
C,11,77.48,s,
O,12,,,
C,13,115.9,s,
C,14,156.64,s,
O,15,,,
C,16,55.91,s,
C,17,98.99,s,
C,18,163.37,s,
O,19,,,
C,20,55.63,s,
C,21,89.8,s,
C,22,158.3,s,
O,23,,,
C,24,104.97,s,
C,25,126.58,s,
C,26,128.6,s,
C,27,112.4,s,
C,28,158.7,s,
O,29,,,
C,30,55.32,s,
C,31,112.4,s,
C,32,128.6,s,
C,33,52.7,s,
C,34,138.4,s,
C,35,129.0,s,
C,36,127.8,s,
C,37,127.8,s,
C,38,127.8,s,
C,39,129.0,s,
H,40,3.15,s,
H,41,3.15,s,
H,42,3.15,s,
H,43,,,
H,44,2.83,dd,"8.8,6.0"
H,45,5.19,d,8.8
H,46,2.04,s,
H,47,2.04,s,
H,48,2.04,s,
H,49,,,
H,50,3.84,s,
H,51,3.84,s,
H,52,3.84,s,
H,53,6.48,s,
H,54,3.73,s,
H,55,3.73,s,
H,56,3.73,s,
H,57,6.48,s,
H,58,7.15,ddd,"7.5,1.9,0.5"
H,59,7.01,ddd,"7.5,1.9,0.5"
H,60,3.76,s,
H,61,3.76,s,
H,62,3.76,s,
H,63,7.01,ddd,"6.8,1.9,0.5"
H,64,7.15,ddd,"6.8,1.9,0.5"
H,65,2.83,d,6.0
H,66,7.23,m,
H,67,7.26,m,
H,68,7.24,ddt,"7.7,6.8,1.4"
H,69,7.26,m,
H,70,7.23,m,
