C,1,22.29,s,
C,2,170.62,s,
O,3,,,
O,4,,,
C,5,74.13,s,
C,6,28.55,s,
C,7,27.95,s,
C,8,43.82,s,
C,9,18.07,s,
C,10,50.54,s,
C,11,22.21,s,
C,12,40.98,s,
C,13,43.1,s,
C,14,11.97,s,
C,15,57.2,s,
C,16,24.74,s,
C,17,27.97,s,
C,18,52.93,s,
C,19,39.3,s,
C,20,13.55,s,
C,21,77.06,s,
C,22,35.12,s,
C,23,40.4,s,
C,24,73.14,s,
C,25,27.64,s,
C,26,27.64,s,
O,27,,,
C,28,102.94,s,
O,29,,,
C,30,169.72,s,
C,31,21.0,s,
O,32,,,
O,33,,,
C,34,36.28,s,
C,35,35.12,s,
C,36,58.1,s,
O,37,,,
C,38,65.56,s,
C,39,40.59,s,
H,40,2.03,s,
H,41,2.03,s,
H,42,2.03,s,
H,43,5.16,m,
H,44,1.7,m,
H,45,1.7,m,
H,46,1.72,ddd,"12.4,11.3,1.0"
H,47,1.72,ddd,"12.4,7.0,1.2"
H,48,1.05,s,
H,49,1.05,s,
H,50,1.05,s,
H,51,1.61,ddd,"11.8,10.6,5.5"
H,52,1.5,m,
H,53,1.5,m,
H,54,1.73,ddd,"13.6,12.4,4.1"
H,55,1.73,ddd,"12.4,5.0,2.4"
H,56,0.69,s,
H,57,0.69,s,
H,58,0.69,s,
H,59,1.16,ddd,"11.8,9.5,7.8"
H,60,1.32,m,
H,61,1.32,m,
H,62,1.62,m,
H,63,1.62,m,
H,64,1.58,ddd,"11.4,8.3,5.6"
H,65,2.11,qdd,"6.6,5.6,5.0"
H,66,1.05,d,6.6
H,67,1.05,d,6.6
H,68,1.05,d,6.6
H,69,4.88,ddd,"9.9,5.0,2.4"
H,70,1.88,ddd,"12.4,6.0,2.4"
H,71,1.88,ddd,"12.4,10.3,9.9"
H,72,2.83,ddd,"10.3,8.8,6.0"
H,73,1.3,s,
H,74,1.3,s,
H,75,1.3,s,
H,76,1.3,s,
H,77,1.3,s,
H,78,1.3,s,
H,79,,,
H,80,5.23,d,8.8
H,81,2.06,s,
H,82,2.06,s,
H,83,2.06,s,
H,84,1.39,m,
H,85,1.88,ddd,"12.4,10.9,5.9"
H,86,1.88,ddd,"12.4,7.9,0.7"
H,87,3.11,dd,"5.9,0.7"
H,88,2.27,dd,"12.4,6.8"
H,89,2.27,dd,"12.4,0.5"
