C,1,15.61,s,
C,2,139.28,s,
C,3,126.82,s,
C,4,20.35,s,
C,5,167.29,s,
O,6,,,
O,7,,,
C,8,77.06,s,
C,9,24.8,s,
C,10,35.22,s,
C,11,76.9,s,
O,12,,,
C,13,48.3,s,
Cl,14,,,
C,15,48.62,s,
C,16,62.69,s,
O,17,,,
C,18,170.35,s,
C,19,21.12,s,
O,20,,,
C,21,40.4,s,
C,22,38.86,s,
C,23,21.19,s,
C,24,42.83,s,
C,25,73.18,s,
O,26,,,
C,27,176.3,s,
C,28,115.1,s,
C,29,176.4,s,
O,30,,,
O,31,,,
C,32,73.0,s,
C,33,37.01,s,
C,34,15.72,s,
C,35,32.9,s,
C,36,72.16,s,
O,37,,,
C,38,169.98,s,
C,39,21.1,s,
O,40,,,
H,41,1.9,d,7.0
H,42,1.9,d,7.0
H,43,1.9,d,7.0
H,44,6.46,q,7.0
H,45,1.87,s,
H,46,1.87,s,
H,47,1.87,s,
H,48,4.88,ddd,"11.7,5.7,3.6"
H,49,1.8,m,
H,50,1.8,m,
H,51,1.9,ddd,"12.4,7.3,0.5"
H,52,1.9,ddd,"12.4,10.3,9.4"
H,53,,,
H,54,3.27,s,
H,55,3.27,s,
H,56,4.56,s,
H,57,4.56,s,
H,58,2.07,s,
H,59,2.07,s,
H,60,2.07,s,
H,61,2.47,d,5.7
H,62,0.98,s,
H,63,0.98,s,
H,64,0.98,s,
H,65,2.1,d,6.1
H,66,2.1,d,6.1
H,67,4.37,t,6.1
H,68,,,
H,69,6.0,s,
H,70,4.93,s,
H,71,4.93,s,
H,72,2.4,dqd,"7.3,6.6,2.0"
H,73,0.87,d,6.6
H,74,0.87,d,6.6
H,75,0.87,d,6.6
H,76,1.88,ddd,"12.4,12.0,7.3"
H,77,1.88,ddd,"12.4,4.0,2.0"
H,78,4.7,dd,"12.0,4.0"
H,79,2.01,s,
H,80,2.01,s,
H,81,2.01,s,
