C,1,23.5,s,
C,2,48.4,s,
C,3,23.5,s,
C,4,77.86,s,
O,5,,,
C,6,70.48,s,
O,7,,,
C,8,35.12,s,
C,9,51.21,s,
C,10,41.86,s,
C,11,23.79,s,
C,12,,,
O,13,,,
C,14,49.84,s,
C,15,41.86,s,
C,16,23.79,s,
C,17,49.26,s,
C,18,21.07,s,
C,19,27.77,s,
C,20,36.7,s,
C,21,37.59,s,
C,22,22.82,s,
C,23,35.7,s,
C,24,30.55,s,
C,25,45.89,s,
C,26,24.42,s,
C,27,179.18,s,
O,28,,,
O,29,,,
C,30,42.24,s,
C,31,143.15,s,
C,32,136.8,s,
C,33,132.53,s,
C,34,144.6,s,
C,35,44.1,s,
C,36,20.1,s,
H,37,1.13,s,
H,38,1.13,s,
H,39,1.13,s,
H,40,1.13,s,
H,41,1.13,s,
H,42,1.13,s,
H,43,4.13,d,1.9
H,44,,,
H,45,4.17,ddd,"4.2,2.6,1.9"
H,46,,,
H,47,1.88,ddd,"12.4,4.2,1.4"
H,48,1.88,ddd,"12.4,9.9,2.6"
H,49,1.45,dd,"9.9,1.4"
H,50,1.6,s,
H,51,1.6,s,
H,52,1.6,s,
H,53,2.57,s,
H,54,2.57,s,
H,55,1.13,s,
H,56,1.13,s,
H,57,1.13,s,
H,58,0.99,s,
H,59,0.99,s,
H,60,0.99,s,
H,61,1.61,ddd,"12.4,10.5,7.1"
H,62,1.61,ddd,"12.4,10.9,1.5"
H,63,1.72,ddd,"12.4,10.5,1.5"
H,64,1.72,ddd,"12.4,10.9,7.1"
H,65,1.13,s,
H,66,1.13,s,
H,67,1.13,s,
H,68,1.72,ddd,"12.4,9.4,8.7"
H,69,1.72,ddd,"12.4,9.1,1.5"
H,70,1.82,ddd,"12.4,8.7,1.5"
H,71,1.82,ddd,"12.4,9.4,9.1"
H,72,1.24,s,
H,73,1.24,s,
H,74,1.24,s,
H,75,,,
H,76,2.43,s,
H,77,2.43,s,
H,78,6.9,d,12.0
H,79,6.3,d,12.0
H,80,0.98,s,
H,81,0.98,s,
H,82,0.98,s,
