C,1,16.82,s,
C,2,38.84,s,
C,3,38.68,s,
C,4,20.95,s,
C,5,30.39,s,
C,6,36.29,s,
C,7,47.73,s,
C,8,177.0,s,
O,9,,,
O,10,,,
C,11,94.92,s,
O,12,,,
C,13,72.3,s,
C,14,18.1,s,
C,15,71.3,s,
O,16,,,
C,17,72.2,s,
O,18,,,
C,19,72.62,s,
O,20,,,
C,21,26.17,s,
C,22,35.28,s,
C,23,63.6,s,
C,24,179.7,s,
O,25,,,
O,26,,,
C,27,149.11,s,
C,28,123.25,s,
C,29,23.77,s,
C,30,47.79,s,
C,31,36.92,s,
C,32,15.59,s,
C,33,38.52,s,
C,34,27.2,s,
C,35,78.78,s,
O,36,,,
C,37,38.55,s,
C,38,21.96,s,
C,39,21.96,s,
C,40,55.05,s,
C,41,18.17,s,
C,42,33.77,s,
C,43,43.99,s,
C,44,17.82,s,
C,45,52.74,s,
H,46,0.8,d,6.6
H,47,0.8,d,6.6
H,48,0.8,d,6.6
H,49,1.39,qdd,"6.6,4.5,1.9"
H,50,0.95,m,
H,51,0.95,d,6.5
H,52,0.95,d,6.5
H,53,0.95,d,6.5
H,54,1.61,tdd,"12.4,8.2,6.9"
H,55,1.61,m,
H,56,1.72,td,"12.4,5.4"
H,57,1.72,ddd,"12.4,6.9,2.0"
H,58,6.1,d,9.1
H,59,3.81,qd,"6.1,0.6"
H,60,1.27,d,6.1
H,61,1.27,d,6.1
H,62,1.27,d,6.1
H,63,3.51,dd,"3.1,0.6"
H,64,,,
H,65,3.96,dd,"8.7,3.1"
H,66,,,
H,67,4.07,dd,"9.1,8.7"
H,68,,,
H,69,2.31,ddd,"12.4,11.9,7.1"
H,70,2.31,ddd,"12.4,7.5,2.6"
H,71,1.72,ddd,"12.4,7.1,2.6"
H,72,1.72,ddd,"12.4,11.9,7.5"
H,73,,,
H,74,5.48,dd,"3.7,3.6"
H,75,1.93,ddd,"15.4,12.2,3.7"
H,76,1.93,ddd,"15.4,7.7,3.6"
H,77,1.76,dd,"12.2,7.7"
H,78,0.88,s,
H,79,0.88,s,
H,80,0.88,s,
H,81,1.62,td,"12.4,5.6"
H,82,1.62,ddd,"12.4,5.7,2.6"
H,83,1.74,m,
H,84,1.74,tdd,"12.4,6.2,5.7"
H,85,3.32,dd,"9.3,6.2"
H,86,,,
H,87,0.94,s,
H,88,0.94,s,
H,89,0.94,s,
H,90,0.94,s,
H,91,0.94,s,
H,92,0.94,s,
H,93,0.9,dd,"10.7,1.5"
H,94,1.46,m,
H,95,1.46,m,
H,96,1.59,ddd,"13.8,12.4,5.2"
H,97,1.59,ddd,"12.4,5.7,3.4"
H,98,1.02,s,
H,99,1.02,s,
H,100,1.02,s,
H,101,2.79,d,4.5
