C,1,52.18,s,
N,2,,,
C,3,62.53,s,
C,4,28.05,s,
C,5,138.21,s,
C,6,110.47,s,
C,7,147.78,s,
C,8,147.29,s,
C,9,111.52,s,
C,10,130.1,s,
C,11,,,
O,12,,,
C,13,30.5,s,
C,14,138.21,s,
C,15,125.66,s,
C,16,111.07,s,
C,17,147.38,s,
C,18,145.43,s,
C,19,117.9,s,
C,20,65.34,s,
O,21,,,
C,22,101.57,s,
O,23,,,
O,24,,,
C,25,101.35,s,
O,26,,,
H,27,3.34,s,
H,28,3.34,s,
H,29,3.34,s,
H,30,3.52,ddd,"12.4,9.4,8.6"
H,31,3.52,ddd,"12.4,9.2,1.4"
H,32,3.01,ddd,"15.4,9.4,1.4"
H,33,3.01,ddd,"15.4,9.2,8.6"
H,34,6.68,d,0.5
H,35,6.94,d,0.5
H,36,,,
H,37,2.05,s,
H,38,2.05,s,
H,39,6.87,d,9.3
H,40,6.29,d,9.3
H,41,5.15,s,
H,42,5.15,s,
H,43,5.88,s,
H,44,5.88,s,
H,45,5.88,s,
H,46,5.88,s,
