C,1,56.02,s,
O,2,,,
C,3,150.42,s,
C,4,114.0,s,
C,5,127.61,s,
C,6,128.15,s,
C,7,116.2,s,
C,8,145.43,s,
O,9,,,
C,10,60.98,s,
C,11,88.79,s,
N,12,,,
C,13,49.76,s,
C,14,30.03,s,
C,15,133.4,s,
C,16,106.7,s,
C,17,150.0,s,
C,18,146.5,s,
C,19,107.7,s,
C,20,123.2,s,
C,21,165.65,s,
O,22,,,
O,23,,,
C,24,101.4,s,
O,25,,,
O,26,,,
C,27,165.89,s,
O,28,,,
H,29,3.87,s,
H,30,3.87,s,
H,31,3.87,s,
H,32,6.84,d,7.9
H,33,7.96,d,7.9
H,34,3.84,s,
H,35,3.84,s,
H,36,3.84,s,
H,37,6.29,s,
H,38,3.34,ddd,"13.8,12.4,4.7"
H,39,3.34,ddd,"12.4,5.6,2.9"
H,40,2.82,ddd,"15.4,13.8,5.6"
H,41,2.82,ddd,"15.4,4.7,2.9"
H,42,6.68,d,0.5
H,43,7.87,d,0.5
H,44,6.12,s,
H,45,6.12,s,
