C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,52.94,s,
N,5,,,
C,6,50.96,s,
C,7,42.57,s,
C,8,52.77,s,
C,9,132.67,s,
C,10,122.57,s,
C,11,123.94,s,
C,12,128.25,s,
C,13,116.16,s,
C,14,141.81,s,
N,15,,,
C,16,164.56,s,
O,17,,,
C,18,132.07,s,
C,19,65.0,s,
C,20,38.34,s,
C,21,52.77,s,
C,22,132.82,s,
C,23,122.47,s,
C,24,123.27,s,
C,25,128.25,s,
C,26,116.16,s,
C,27,141.81,s,
N,28,,,
C,29,165.24,s,
O,30,,,
C,31,123.16,s,
C,32,136.39,s,
C,33,40.4,s,
C,34,61.05,s,
C,35,42.38,s,
C,36,26.71,s,
C,37,64.27,s,
N,38,,,
C,39,51.67,s,
C,40,142.04,s,
C,41,120.71,s,
C,42,12.85,s,
C,43,132.74,s,
C,44,40.4,s,
C,45,61.05,s,
C,46,42.38,s,
C,47,26.71,s,
C,48,60.23,s,
H,49,1.65,d,7.0
H,50,1.65,d,7.0
H,51,1.65,d,7.0
H,52,5.45,q,7.0
H,53,3.31,s,
H,54,3.31,s,
H,55,3.01,ddd,"12.1,9.4,6.0"
H,56,3.01,ddd,"9.4,7.6,1.0"
H,57,1.85,ddd,"12.4,12.1,7.6"
H,58,1.85,ddd,"12.4,6.0,1.0"
H,59,7.11,ddd,"6.6,1.4,0.5"
H,60,7.04,ddd,"9.2,6.6,1.4"
H,61,7.2,ddd,"9.2,6.6,1.4"
H,62,8.04,ddd,"6.6,1.4,0.5"
H,63,4.28,dd,"10.4,5.7"
H,64,2.15,dd,"12.4,10.4"
H,65,2.15,dd,"12.4,5.7"
H,66,7.11,ddd,"6.7,1.4,0.5"
H,67,7.04,ddd,"7.6,6.7,1.4"
H,68,7.2,ddd,"8.3,7.6,1.4"
H,69,8.04,ddd,"8.3,1.4,0.5"
H,70,6.63,d,11.7
H,71,6.16,dd,"11.7,4.6"
H,72,2.83,ddd,"7.5,4.6,3.6"
H,73,3.54,d,7.5
H,74,2.99,ddd,"3.7,3.6,3.0"
H,75,1.88,ddd,"12.4,3.7,1.8"
H,76,1.88,ddd,"12.4,3.5,3.0"
H,77,3.78,dd,"3.5,1.8"
H,78,3.82,s,
H,79,3.82,s,
H,80,5.45,q,7.0
H,81,1.65,d,7.0
H,82,1.65,d,7.0
H,83,1.65,d,7.0
H,84,5.92,d,3.2
H,85,2.83,ddd,"12.6,3.2,1.8"
H,86,3.54,d,12.6
H,87,2.99,ddd,"4.0,3.8,1.8"
H,88,1.88,ddd,"12.4,4.3,4.0"
H,89,1.88,ddd,"12.4,3.8,1.8"
H,90,3.91,dd,"4.3,1.8"
