C,1,52.12,s,
O,2,,,
C,3,172.21,s,
O,4,,,
C,5,60.2,s,
C,6,41.07,s,
C,7,86.61,s,
O,8,,,
C,9,134.4,s,
C,10,123.64,s,
C,11,122.35,s,
C,12,131.17,s,
C,13,116.11,s,
C,14,142.35,s,
N,15,,,
C,16,171.16,s,
O,17,,,
C,18,61.74,s,
C,19,26.69,s,
C,20,26.69,s,
N,21,,,
O,22,,,
C,23,78.6,s,
N,24,,,
C,25,151.58,s,
N,26,,,
C,27,147.38,s,
C,28,125.9,s,
C,29,134.2,s,
C,30,127.98,s,
C,31,126.37,s,
C,32,120.75,s,
C,33,165.65,s,
O,34,,,
H,35,3.68,s,
H,36,3.68,s,
H,37,3.68,s,
H,38,4.45,t,6.5
H,39,2.49,d,6.5
H,40,2.49,d,6.5
H,41,,,
H,42,7.48,ddd,"7.0,1.4,0.5"
H,43,6.87,ddd,"7.0,6.8,1.4"
H,44,7.43,ddd,"8.6,6.8,1.4"
H,45,7.32,ddd,"8.6,1.4,0.5"
H,46,1.41,s,
H,47,1.41,s,
H,48,1.41,s,
H,49,1.41,s,
H,50,1.41,s,
H,51,1.41,s,
H,52,,,
H,53,5.01,s,
H,54,8.58,s,
H,55,7.48,ddd,"6.2,1.4,0.5"
H,56,7.51,ddd,"7.5,6.2,1.4"
H,57,7.48,ddd,"7.9,7.5,1.4"
H,58,8.23,ddd,"7.9,1.4,0.5"
