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,10,61.05,s,
N,11,,,
C,12,164.56,s,
O,13,,,
C,14,141.81,s,
C,15,116.16,s,
C,16,128.25,s,
C,17,123.94,s,
C,18,122.57,s,
C,19,132.67,s,
C,20,52.77,s,
C,21,42.57,s,
C,22,50.96,s,
N,23,,,
C,24,52.69,s,
C,25,140.57,s,
C,26,127.2,s,
C,27,58.8,s,
O,28,,,
C,29,42.38,s,
C,30,26.71,s,
C,31,60.23,s,
C,32,38.34,s,
C,33,55.7,s,
C,34,135.1,s,
C,35,121.9,s,
C,36,120.7,s,
C,37,128.25,s,
C,38,116.16,s,
C,39,141.81,s,
N,40,,,
C,41,172.36,s,
O,42,,,
C,43,36.9,s,
C,44,126.29,s,
C,45,147.5,s,
C,46,38.9,s,
C,47,26.8,s,
C,48,64.27,s,
C,49,61.0,s,
H,50,1.67,d,7.0
H,51,1.67,d,7.0
H,52,1.67,d,7.0
H,53,5.45,q,7.0
H,54,3.82,s,
H,55,3.82,s,
H,56,4.28,dd,"12.1,4.9"
H,57,5.92,d,3.3
H,58,2.83,ddd,"12.1,3.3,2.7"
H,59,3.54,d,12.1
H,60,8.04,ddd,"7.3,1.4,0.5"
H,61,7.2,ddd,"8.8,7.3,1.4"
H,62,7.04,ddd,"8.8,7.8,1.4"
H,63,7.11,ddd,"7.8,1.4,0.5"
H,64,1.85,ddd,"12.4,12.1,8.1"
H,65,1.85,ddd,"12.4,6.7,0.7"
H,66,3.01,ddd,"12.1,9.4,6.7"
H,67,3.01,ddd,"9.4,8.1,0.7"
H,68,3.2,s,
H,69,3.2,s,
H,70,5.7,t,7.0
H,71,4.18,d,7.0
H,72,4.18,d,7.0
H,73,,,
H,74,2.99,ddd,"4.4,3.8,2.7"
H,75,1.88,ddd,"12.4,3.8,2.2"
H,76,1.88,ddd,"12.4,4.4,2.9"
H,77,3.91,dd,"2.9,2.2"
H,78,2.15,dd,"12.4,12.1"
H,79,2.15,dd,"12.4,4.9"
H,80,7.25,ddd,"7.1,1.4,0.5"
H,81,6.94,ddd,"8.4,7.1,1.4"
H,82,7.2,ddd,"8.4,6.3,1.4"
H,83,8.04,ddd,"6.3,1.4,0.5"
H,84,3.57,dd,"18.4,5.7"
H,85,3.57,dd,"18.4,2.6"
H,86,5.54,dd,"5.7,2.6"
H,87,2.83,dd,"4.0,1.9"
H,88,1.85,ddd,"12.4,2.9,1.9"
H,89,1.85,ddd,"12.4,4.0,3.0"
H,90,3.78,dd,"3.0,2.9"
H,91,4.25,s,
