C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,51.67,s,
N,5,,,
C,6,65.0,s,
C,7,132.07,s,
C,8,132.74,s,
C,9,40.4,s,
C,10,42.38,s,
C,11,26.71,s,
C,12,60.23,s,
N,13,,,
C,14,50.96,s,
C,15,42.57,s,
C,16,52.77,s,
C,17,132.67,s,
C,18,122.57,s,
C,19,123.94,s,
C,20,128.25,s,
C,21,116.16,s,
C,22,141.81,s,
N,23,,,
C,24,164.56,s,
O,25,,,
C,26,61.05,s,
C,27,52.94,s,
C,28,142.04,s,
C,29,120.71,s,
C,30,12.85,s,
C,31,38.34,s,
C,32,55.7,s,
C,33,135.1,s,
C,34,121.9,s,
C,35,120.7,s,
C,36,128.25,s,
C,37,116.16,s,
C,38,141.81,s,
N,39,,,
C,40,172.36,s,
O,41,,,
C,42,36.9,s,
C,43,126.29,s,
C,44,147.5,s,
C,45,38.9,s,
C,46,26.8,s,
C,47,64.27,s,
C,48,61.0,s,
H,49,1.67,d,7.0
H,50,1.67,d,7.0
H,51,1.67,d,7.0
H,52,5.45,q,7.0
H,53,3.82,s,
H,54,3.82,s,
H,55,4.28,dd,"12.0,5.4"
H,56,5.92,d,3.4
H,57,2.83,ddd,"12.4,3.4,2.8"
H,58,2.99,ddd,"3.9,3.5,2.8"
H,59,1.88,ddd,"12.4,3.5,2.6"
H,60,1.88,ddd,"12.4,3.9,2.5"
H,61,3.91,dd,"2.6,2.5"
H,62,3.01,ddd,"9.4,9.1,1.1"
H,63,3.01,ddd,"11.9,9.4,6.9"
H,64,1.85,ddd,"12.4,11.9,9.1"
H,65,1.85,ddd,"12.4,6.9,1.1"
H,66,7.11,ddd,"6.3,1.4,0.5"
H,67,7.04,ddd,"8.2,6.3,1.4"
H,68,7.2,ddd,"8.2,6.3,1.4"
H,69,8.04,ddd,"6.3,1.4,0.5"
H,70,3.54,d,12.4
H,71,3.31,s,
H,72,3.31,s,
H,73,5.45,q,7.0
H,74,1.65,d,7.0
H,75,1.65,d,7.0
H,76,1.65,d,7.0
H,77,2.15,dd,"12.4,5.4"
H,78,2.15,dd,"12.4,12.0"
H,79,7.25,ddd,"7.7,1.4,0.5"
H,80,6.94,td,"7.7,1.4"
H,81,7.2,ddd,"7.7,6.4,1.4"
H,82,8.04,ddd,"6.4,1.4,0.5"
H,83,3.57,dd,"18.4,3.2"
H,84,3.57,dd,"18.4,6.2"
H,85,5.54,dd,"6.2,3.2"
H,86,2.83,dd,"3.5,3.0"
H,87,1.85,ddd,"12.4,3.8,3.5"
H,88,1.85,ddd,"12.4,3.0,2.0"
H,89,3.78,dd,"3.8,2.0"
H,90,4.25,s,
