C,1,55.98,s,
O,2,,,
C,3,148.69,s,
C,4,111.52,s,
C,5,128.15,s,
C,6,141.45,s,
C,7,128.89,s,
C,8,130.53,s,
N,9,,,
C,10,139.8,s,
C,11,111.1,s,
C,12,126.1,s,
C,13,120.19,s,
C,14,123.06,s,
C,15,121.95,s,
C,16,34.04,s,
C,17,83.52,s,
C,18,71.8,s,
C,19,25.05,s,
C,20,25.05,s,
O,21,,,
O,22,,,
C,23,165.89,s,
O,24,,,
H,25,4.04,s,
H,26,4.04,s,
H,27,4.04,s,
H,28,7.48,s,
H,29,,,
H,30,7.51,ddd,"7.2,1.4,0.5"
H,31,7.4,ddd,"7.2,6.8,1.4"
H,32,7.27,ddd,"8.5,6.8,1.4"
H,33,8.06,ddd,"8.5,1.4,0.5"
H,34,3.08,dd,"15.4,8.4"
H,35,3.08,dd,"15.4,9.5"
H,36,4.54,dd,"9.5,8.4"
H,37,1.3,s,
H,38,1.3,s,
H,39,1.3,s,
H,40,1.3,s,
H,41,1.3,s,
H,42,1.3,s,
H,43,,,
