C,1,52.29,s,
O,2,,,
C,3,174.33,s,
O,4,,,
C,5,42.45,s,
C,6,25.73,s,
C,7,30.55,s,
C,8,34.7,s,
C,9,46.3,s,
C,10,180.0,s,
O,11,,,
O,12,,,
C,13,23.9,s,
C,14,28.0,s,
C,15,42.0,s,
C,16,26.1,s,
C,17,144.3,s,
C,18,123.3,s,
C,19,23.54,s,
C,20,48.1,s,
C,21,40.5,s,
C,22,16.58,s,
C,23,33.41,s,
C,24,19.7,s,
C,25,53.8,s,
C,26,43.95,s,
C,27,19.83,s,
C,28,67.82,s,
O,29,,,
C,30,74.88,s,
O,31,,,
C,32,27.9,s,
C,33,36.75,s,
C,34,37.85,s,
C,35,16.5,s,
C,36,43.0,s,
C,37,42.26,s,
H,38,3.75,s,
H,39,3.75,s,
H,40,3.75,s,
H,41,1.2,s,
H,42,1.2,s,
H,43,1.2,s,
H,44,1.82,ddd,"12.4,11.5,6.4"
H,45,1.82,ddd,"12.4,7.2,2.6"
H,46,1.76,ddd,"12.4,11.5,7.2"
H,47,1.76,ddd,"12.4,6.4,2.6"
H,48,,,
H,49,1.89,ddd,"12.4,11.2,8.9"
H,50,1.89,ddd,"12.4,7.3,3.0"
H,51,1.65,ddd,"12.4,11.2,7.3"
H,52,1.65,ddd,"12.4,8.9,3.0"
H,53,1.31,s,
H,54,1.31,s,
H,55,1.31,s,
H,56,5.48,dd,"6.5,3.2"
H,57,1.93,ddd,"15.4,12.4,3.2"
H,58,1.93,ddd,"15.4,6.5,2.1"
H,59,1.81,dd,"12.4,2.1"
H,60,1.08,s,
H,61,1.08,s,
H,62,1.08,s,
H,63,1.47,ddd,"12.4,12.2,7.2"
H,64,1.47,ddd,"12.4,7.6,2.4"
H,65,1.52,m,
H,66,1.52,m,
H,67,0.95,dd,"12.6,5.4"
H,68,1.18,s,
H,69,1.18,s,
H,70,1.18,s,
H,71,3.77,s,
H,72,3.77,s,
H,73,,,
H,74,3.69,dd,"7.3,1.9"
H,75,,,
H,76,1.86,m,
H,77,1.86,m,
H,78,1.19,ddd,"13.4,12.4,5.2"
H,79,1.19,ddd,"12.4,3.8,3.4"
H,80,0.9,s,
H,81,0.9,s,
H,82,0.9,s,
H,83,3.16,dd,"4.9,4.2"
H,84,2.04,dd,"12.4,4.9"
H,85,2.04,dd,"12.4,4.2"
