C,1,30.6,s,
C,2,,,
O,3,,,
C,4,102.42,s,
C,5,168.8,s,
O,6,,,
C,7,70.6,s,
C,8,47.6,s,
C,9,116.03,s,
C,10,124.54,s,
N,11,,,
C,12,137.63,s,
C,13,114.24,s,
C,14,126.02,s,
C,15,122.76,s,
C,16,137.35,s,
C,17,126.5,s,
C,18,33.89,s,
C,19,45.75,s,
C,20,64.7,s,
C,21,22.2,s,
C,22,22.2,s,
N,23,,,
C,24,164.56,s,
O,25,,,
H,26,2.33,s,
H,27,2.33,s,
H,28,2.33,s,
H,29,,,
H,30,4.28,d,12.3
H,31,4.06,dd,"12.3,7.3"
H,32,6.99,s,
H,33,,,
H,34,7.02,dd,"6.9,1.4"
H,35,7.22,dd,"6.9,6.3"
H,36,7.32,dd,"6.3,1.4"
H,37,3.01,dd,"15.4,9.8"
H,38,3.01,dd,"15.4,8.5"
H,39,2.83,ddd,"9.8,8.5,7.3"
H,40,1.42,s,
H,41,1.42,s,
H,42,1.42,s,
H,43,1.42,s,
H,44,1.42,s,
H,45,1.42,s,
