C,1,29.4,s,
N,2,,,
C,3,151.99,s,
C,4,110.34,s,
C,5,134.76,s,
C,6,120.26,s,
C,7,130.89,s,
C,8,115.59,s,
C,9,169.15,s,
O,10,,,
O,11,,,
C,12,80.45,s,
C,13,24.01,s,
C,14,36.29,s,
C,15,37.91,s,
C,16,16.96,s,
C,17,51.21,s,
C,18,35.12,s,
C,19,75.84,s,
O,20,,,
C,21,47.72,s,
C,22,17.01,s,
C,23,51.21,s,
C,24,20.49,s,
C,25,35.28,s,
C,26,23.43,s,
C,27,30.5,s,
C,28,41.86,s,
C,29,35.28,s,
C,30,28.16,s,
C,31,50.54,s,
C,32,46.35,s,
C,33,33.1,s,
C,34,76.8,s,
C,35,75.4,s,
O,36,,,
C,37,73.1,s,
C,38,26.45,s,
C,39,26.45,s,
O,40,,,
O,41,,,
C,42,109.7,s,
O,43,,,
C,44,55.7,s,
C,45,39.26,s,
C,46,22.07,s,
C,47,22.07,s,
H,48,2.77,s,
H,49,2.77,s,
H,50,2.77,s,
H,51,,,
H,52,7.15,ddd,"8.6,1.4,0.5"
H,53,7.22,ddd,"8.6,8.1,1.4"
H,54,7.43,ddd,"8.1,7.8,1.4"
H,55,7.93,ddd,"7.8,1.4,0.5"
H,56,4.56,dd,"11.0,6.1"
H,57,1.84,m,
H,58,1.84,m,
H,59,1.32,ddd,"13.2,12.4,5.0"
H,60,1.32,ddd,"12.4,5.0,3.4"
H,61,0.94,s,
H,62,0.94,s,
H,63,0.94,s,
H,64,1.26,dd,"11.4,1.3"
H,65,1.88,ddd,"12.4,11.4,2.8"
H,66,1.88,ddd,"12.4,5.0,1.3"
H,67,4.12,dd,"5.0,2.8"
H,68,,,
H,69,1.25,s,
H,70,1.25,s,
H,71,1.25,s,
H,72,1.57,dd,"11.9,6.2"
H,73,1.63,m,
H,74,1.63,m,
H,75,1.72,ddd,"12.4,11.8,2.6"
H,76,1.72,ddd,"12.4,11.9,3.8"
H,77,2.05,s,
H,78,2.05,s,
H,79,1.72,ddd,"12.4,11.1,2.1"
H,80,1.72,ddd,"12.4,11.6,6.1"
H,81,1.58,m,
H,82,1.58,m,
H,83,1.61,ddd,"10.6,5.7,4.2"
H,84,1.7,m,
H,85,1.88,ddd,"12.4,10.6,9.7"
H,86,1.88,ddd,"12.4,7.6,2.2"
H,87,4.61,ddd,"9.7,4.8,2.2"
H,88,4.12,d,4.8
H,89,,,
H,90,1.3,s,
H,91,1.3,s,
H,92,1.3,s,
H,93,1.3,s,
H,94,1.3,s,
H,95,1.3,s,
H,96,,,
H,97,5.23,d,8.3
H,98,3.32,s,
H,99,3.32,s,
H,100,3.32,s,
H,101,1.07,s,
H,102,1.07,s,
H,103,1.07,s,
H,104,1.07,s,
H,105,1.07,s,
H,106,1.07,s,
