C,1,15.6,s,
C,2,43.68,s,
C,3,35.12,s,
C,4,70.48,s,
O,5,,,
C,6,76.51,s,
C,7,30.57,s,
C,8,27.34,s,
C,9,45.28,s,
C,10,38.1,s,
C,11,198.2,s,
O,12,,,
C,13,103.3,s,
C,14,162.3,s,
N,15,,,
C,16,176.68,s,
O,17,,,
C,18,41.86,s,
C,19,23.79,s,
C,20,,,
O,21,,,
C,22,77.48,s,
O,23,,,
H,24,1.12,d,6.6
H,25,1.12,d,6.6
H,26,1.12,d,6.6
H,27,2.78,qdd,"6.6,4.8,4.1"
H,28,1.88,ddd,"12.4,4.1,2.0"
H,29,1.88,ddd,"12.4,5.0,4.8"
H,30,4.17,ddd,"5.0,3.7,2.0"
H,31,,,
H,32,4.61,ddd,"8.0,7.7,3.7"
H,33,1.8,m,
H,34,1.8,m,
H,35,2.98,m,
H,36,2.98,m,
H,37,1.99,m,
H,38,2.74,dd,"15.4,13.1"
H,39,2.74,dd,"15.4,5.3"
H,40,6.44,s,
H,41,9.82,s,
H,42,1.13,s,
H,43,1.13,s,
H,44,1.13,s,
