C,1,28.34,s,
C,2,30.8,s,
C,3,28.34,s,
C,4,33.93,s,
C,5,32.65,s,
C,6,46.27,s,
C,7,181.68,s,
O,8,,,
O,9,,,
C,10,23.26,s,
C,11,28.48,s,
C,12,42.15,s,
C,13,24.21,s,
C,14,143.92,s,
C,15,116.82,s,
C,16,25.21,s,
C,17,48.76,s,
C,18,39.94,s,
C,19,20.6,s,
C,20,42.6,s,
C,21,68.6,s,
O,22,,,
C,23,77.86,s,
O,24,,,
C,25,41.86,s,
C,26,23.79,s,
C,27,67.18,s,
O,28,,,
C,29,169.39,s,
C,30,126.29,s,
C,31,37.84,s,
C,32,43.99,s,
C,33,17.82,s,
C,34,41.8,s,
C,35,46.31,s,
H,36,0.94,s,
H,37,0.94,s,
H,38,0.94,s,
H,39,0.94,s,
H,40,0.94,s,
H,41,0.94,s,
H,42,1.34,ddd,"13.1,12.4,3.4"
H,43,1.34,ddd,"12.4,4.1,2.9"
H,44,1.73,ddd,"13.1,12.4,2.9"
H,45,1.73,ddd,"12.4,4.1,3.4"
H,46,,,
H,47,1.89,ddd,"12.4,7.5,2.1"
H,48,1.89,ddd,"12.4,11.6,7.8"
H,49,1.65,ddd,"12.4,7.8,2.1"
H,50,1.65,ddd,"12.4,11.6,7.5"
H,51,1.31,s,
H,52,1.31,s,
H,53,1.31,s,
H,54,5.7,dd,"5.1,2.7"
H,55,2.25,ddd,"15.4,12.5,2.7"
H,56,2.25,ddd,"15.4,5.1,4.4"
H,57,2.11,dd,"12.5,4.4"
H,58,1.08,s,
H,59,1.08,s,
H,60,1.08,s,
H,61,3.3,dd,"12.4,1.3"
H,62,3.3,dd,"12.4,8.1"
H,63,4.3,ddd,"8.1,5.4,1.3"
H,64,,,
H,65,4.13,d,5.4
H,66,,,
H,67,1.13,s,
H,68,1.13,s,
H,69,1.13,s,
H,70,3.97,s,
H,71,3.97,s,
H,72,,,
H,73,5.54,dd,"5.2,2.8"
H,74,2.01,dd,"15.4,5.2"
H,75,2.01,dd,"15.4,2.8"
H,76,1.02,s,
H,77,1.02,s,
H,78,1.02,s,
H,79,3.25,dd,"10.9,2.4"
H,80,1.58,dd,"12.4,10.9"
H,81,1.58,dd,"12.4,2.4"
