C,1,56.1,s,
O,2,,,
C,3,164.95,s,
C,4,94.65,s,
C,5,158.3,s,
C,6,116.45,s,
C,7,143.02,s,
C,8,134.2,s,
C,9,12.5,s,
C,10,142.6,s,
C,11,126.4,s,
C,12,131.94,s,
C,13,128.19,s,
C,14,136.4,s,
C,15,131.2,s,
C,16,132.9,s,
C,17,124.8,s,
C,18,148.78,s,
N,19,,,
C,20,148.6,s,
O,21,,,
C,22,165.8,s,
O,23,,,
C,24,102.15,s,
C,25,8.75,s,
H,26,3.74,s,
H,27,3.74,s,
H,28,3.74,s,
H,29,5.74,s,
H,30,6.62,d,16.0
H,31,7.83,d,16.0
H,32,1.99,s,
H,33,1.99,s,
H,34,1.99,s,
H,35,6.31,d,11.0
H,36,6.49,dd,"17.0,11.0"
H,37,6.56,dd,"17.0,11.0"
H,38,6.73,dd,"12.0,11.0"
H,39,7.31,d,12.0
H,40,7.9,ddd,"8.1,1.9,1.4"
H,41,7.32,ddd,"8.1,3.9,0.5"
H,42,8.54,dd,"3.9,1.4"
H,43,8.75,dd,"1.9,0.5"
H,44,2.01,s,
H,45,2.01,s,
H,46,2.01,s,
