C,1,15.05,s,
C,2,42.36,s,
C,3,55.77,s,
O,4,,,
C,5,56.25,s,
C,6,74.89,s,
O,7,,,
C,8,73.1,s,
C,9,26.45,s,
C,10,26.45,s,
O,11,,,
C,12,46.87,s,
C,13,26.45,s,
C,14,34.23,s,
C,15,51.2,s,
C,16,27.33,s,
C,17,145.69,s,
C,18,119.89,s,
C,19,23.25,s,
C,20,40.2,s,
C,21,37.6,s,
C,22,25.52,s,
C,23,25.52,s,
C,24,76.25,s,
O,25,,,
C,26,26.75,s,
C,27,35.9,s,
C,28,35.45,s,
C,29,23.94,s,
C,30,47.94,s,
C,31,17.9,s,
C,32,32.23,s,
C,33,43.7,s,
C,34,22.27,s,
H,35,1.02,d,6.6
H,36,1.02,d,6.6
H,37,1.02,d,6.6
H,38,2.01,qdd,"6.6,5.6,5.1"
H,39,3.37,dd,"6.2,5.1"
H,40,2.71,dd,"6.2,4.9"
H,41,4.12,d,4.9
H,42,,,
H,43,1.3,s,
H,44,1.3,s,
H,45,1.3,s,
H,46,1.3,s,
H,47,1.3,s,
H,48,1.3,s,
H,49,,,
H,50,1.76,ddd,"12.7,6.1,5.6"
H,51,1.95,m,
H,52,1.95,m,
H,53,1.83,ddd,"12.4,4.7,1.8"
H,54,1.83,ddd,"14.5,12.4,6.0"
H,55,1.26,s,
H,56,1.26,s,
H,57,1.26,s,
H,58,5.66,dd,"4.6,3.4"
H,59,2.05,ddd,"15.4,11.4,3.4"
H,60,2.05,dt,"15.4,4.6"
H,61,0.99,dd,"11.4,4.6"
H,62,0.98,s,
H,63,0.98,s,
H,64,0.98,s,
H,65,0.98,s,
H,66,0.98,s,
H,67,0.98,s,
H,68,3.34,dd,"9.1,7.2"
H,69,,,
H,70,1.69,m,
H,71,1.69,m,
H,72,1.78,ddd,"12.4,4.6,3.5"
H,73,1.78,ddd,"13.1,12.4,4.7"
H,74,1.18,s,
H,75,1.18,s,
H,76,1.18,s,
H,77,3.42,dd,"11.7,1.1"
H,78,1.8,m,
H,79,1.8,dtd,"12.4,5.3,1.1"
H,80,1.59,ddd,"14.0,12.4,5.3"
H,81,1.59,ddd,"12.4,5.3,2.2"
H,82,1.02,s,
H,83,1.02,s,
H,84,1.02,s,
