C,1,53.1,s,
O,2,,,
C,3,153.4,s,
O,4,,,
N,5,,,
C,6,142.35,s,
C,7,116.11,s,
C,8,131.17,s,
C,9,122.44,s,
C,10,124.58,s,
C,11,134.28,s,
C,12,59.2,s,
C,13,54.8,s,
C,14,53.0,s,
N,15,,,
C,16,46.5,s,
C,17,21.02,s,
C,18,29.04,s,
C,19,35.12,s,
C,20,35.28,s,
C,21,34.93,s,
C,22,61.74,s,
C,23,77.48,s,
O,24,,,
C,25,46.67,s,
C,26,,,
O,27,,,
C,28,71.28,s,
H,29,3.74,s,
H,30,3.74,s,
H,31,3.74,s,
H,32,7.32,ddd,"8.9,1.4,0.5"
H,33,7.43,ddd,"8.9,7.1,1.4"
H,34,6.94,ddd,"7.2,7.1,1.4"
H,35,7.25,ddd,"7.2,1.4,0.5"
H,36,2.83,dd,"9.3,2.2"
H,37,3.31,dd,"9.4,2.2"
H,38,3.31,dd,"9.4,9.3"
H,39,2.66,ddd,"12.4,6.4,2.2"
H,40,2.66,ddd,"12.8,12.4,5.4"
H,41,1.61,m,
H,42,1.61,m,
H,43,1.58,ddd,"12.4,8.5,1.5"
H,44,1.58,ddd,"12.4,10.4,8.4"
H,45,1.72,ddd,"12.4,11.3,2.7"
H,46,1.72,ddd,"12.4,11.4,6.9"
H,47,1.99,ddd,"12.4,11.3,6.9"
H,48,1.99,ddd,"12.4,11.4,2.7"
H,49,,,
H,50,2.06,s,
H,51,2.06,s,
H,52,2.67,s,
