C,1,55.99,s,
O,2,,,
C,3,146.17,s,
C,4,110.47,s,
C,5,138.21,s,
C,6,130.1,s,
C,7,111.52,s,
C,8,145.9,s,
O,9,,,
C,10,81.63,s,
C,11,43.57,s,
C,12,138.21,s,
C,13,125.66,s,
C,14,111.07,s,
C,15,147.38,s,
C,16,145.43,s,
C,17,125.03,s,
C,18,43.57,s,
O,19,,,
C,20,101.57,s,
O,21,,,
N,22,,,
C,23,58.89,s,
O,24,,,
C,25,66.54,s,
C,26,28.05,s,
H,27,3.86,s,
H,28,3.86,s,
H,29,3.86,s,
H,30,6.68,d,0.5
H,31,6.94,d,0.5
H,32,,,
H,33,3.06,s,
H,34,3.06,s,
H,35,6.87,d,7.0
H,36,6.29,d,7.0
H,37,3.06,s,
H,38,3.06,s,
H,39,5.88,s,
H,40,5.88,s,
H,41,3.17,s,
H,42,3.17,s,
H,43,3.17,s,
H,44,3.65,ddd,"12.4,9.6,8.7"
H,45,3.65,ddd,"12.4,7.8,1.0"
H,46,3.01,ddd,"15.4,9.6,7.8"
H,47,3.01,ddd,"15.4,8.7,1.0"
