C,1,22.05,s,
C,2,32.2,s,
C,3,22.05,s,
C,4,39.9,s,
C,5,28.4,s,
C,6,43.3,s,
C,7,38.4,s,
C,8,26.2,s,
C,9,50.07,s,
C,10,35.12,s,
C,11,73.63,s,
O,12,,,
C,13,61.74,s,
C,14,34.93,s,
C,15,26.2,s,
C,16,28.16,s,
C,17,49.74,s,
C,18,49.5,s,
C,19,35.28,s,
C,20,38.33,s,
C,21,,,
O,22,,,
C,23,50.8,s,
C,24,19.8,s,
C,25,66.6,s,
O,26,,,
C,27,106.7,s,
C,28,24.3,s,
C,29,35.1,s,
C,30,25.4,s,
C,31,83.2,s,
O,32,,,
C,33,64.2,s,
N,34,,,
C,35,53.83,s,
H,36,0.99,d,6.4
H,37,0.99,d,6.4
H,38,0.99,d,6.4
H,39,1.65,m,"6.4,5.4"
H,40,0.99,d,6.4
H,41,0.99,d,6.4
H,42,0.99,d,6.4
H,43,1.54,m,
H,44,1.72,m,
H,45,1.72,m,
H,46,1.53,ddd,"12.4,12.0,3.1"
H,47,1.53,ddd,"12.4,12.0,2.7"
H,48,0.93,s,
H,49,0.93,s,
H,50,0.93,s,
H,51,2.24,m,
H,52,1.88,ddd,"12.4,8.2,2.0"
H,53,1.88,ddd,"12.4,8.8,0.3"
H,54,2.6,dd,"8.8,2.0"
H,55,,,
H,56,1.99,ddd,"12.4,6.7,1.3"
H,57,1.99,ddd,"12.4,12.1,8.3"
H,58,1.54,m,
H,59,1.54,m,
H,60,1.58,m,
H,61,1.58,m,
H,62,2.41,dd,"11.0,8.6"
H,63,1.72,t,6.8
H,64,1.72,t,6.8
H,65,2.67,t,6.8
H,66,2.67,t,6.8
H,67,0.9,s,
H,68,0.9,s,
H,69,0.9,s,
H,70,4.11,s,
H,71,4.11,s,
H,72,1.35,s,
H,73,1.35,s,
H,74,1.35,s,
H,75,1.97,ddd,"12.4,11.8,2.6"
H,76,1.97,ddd,"12.4,10.7,5.6"
H,77,2.0,ddd,"12.4,10.7,2.6"
H,78,2.0,m,
H,79,4.78,d,8.2
H,80,2.87,d,5.5
H,81,3.31,dd,"12.4,1.2"
H,82,3.31,dd,"12.4,5.6"
