C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,52.94,s,
N,5,,,
C,6,51.09,s,
C,7,42.03,s,
C,8,52.77,s,
C,9,132.82,s,
C,10,122.47,s,
C,11,123.27,s,
C,12,128.4,s,
C,13,111.2,s,
C,14,149.2,s,
N,15,,,
C,16,61.05,s,
C,17,52.3,s,
C,18,32.9,s,
C,19,26.3,s,
C,20,60.23,s,
C,21,94.36,s,
O,22,,,
C,23,94.36,s,
C,24,52.3,s,
C,25,61.05,s,
N,26,,,
C,27,149.2,s,
C,28,111.2,s,
C,29,128.4,s,
C,30,123.27,s,
C,31,122.47,s,
C,32,132.82,s,
C,33,52.77,s,
C,34,42.03,s,
C,35,51.09,s,
N,36,,,
C,37,52.69,s,
C,38,140.57,s,
C,39,127.2,s,
C,40,58.8,s,
O,41,,,
C,42,32.9,s,
C,43,26.3,s,
C,44,60.23,s,
H,45,1.65,d,7.0
H,46,1.65,d,7.0
H,47,1.65,d,7.0
H,48,5.45,q,7.0
H,49,3.31,s,
H,50,3.31,s,
H,51,3.01,ddd,"11.1,9.4,3.5"
H,52,3.01,ddd,"10.8,9.4,5.9"
H,53,1.85,ddd,"12.4,11.1,5.9"
H,54,1.85,ddd,"12.4,10.8,3.5"
H,55,7.11,ddd,"9.8,1.4,0.5"
H,56,7.04,ddd,"9.8,8.5,1.4"
H,57,7.43,ddd,"8.5,6.5,1.4"
H,58,7.32,ddd,"6.5,1.4,0.5"
H,59,3.54,d,9.7
H,60,2.83,ddd,"9.7,7.2,1.5"
H,61,2.99,ddd,"3.8,2.6,1.5"
H,62,1.88,ddd,"12.4,5.6,2.6"
H,63,1.88,ddd,"12.4,3.8,2.2"
H,64,3.91,dd,"5.6,2.2"
H,65,6.04,d,7.2
H,66,6.04,d,6.3
H,67,2.83,ddd,"10.7,6.3,2.2"
H,68,3.54,d,10.7
H,69,7.32,ddd,"8.1,1.4,0.5"
H,70,7.43,ddd,"8.2,8.1,1.4"
H,71,7.04,ddd,"8.2,6.3,1.4"
H,72,7.11,ddd,"6.3,1.4,0.5"
H,73,1.85,ddd,"12.4,8.6,1.8"
H,74,1.85,ddd,"12.4,10.5,9.2"
H,75,3.01,ddd,"9.4,9.2,1.8"
H,76,3.01,ddd,"10.5,9.4,8.6"
H,77,3.2,s,
H,78,3.2,s,
H,79,5.7,t,7.0
H,80,4.18,d,7.0
H,81,4.18,d,7.0
H,82,,,
H,83,2.99,ddd,"4.5,3.8,2.2"
H,84,1.88,ddd,"12.4,4.5,1.9"
H,85,1.88,ddd,"12.4,3.8,2.4"
H,86,3.91,dd,"2.4,1.9"
