C,1,23.15,s,
C,2,65.95,s,
O,3,,,
C,4,32.48,s,
C,5,114.83,s,
C,6,168.63,s,
O,7,,,
C,8,132.07,s,
C,9,127.9,s,
C,10,198.7,s,
O,11,,,
C,12,60.77,s,
C,13,34.0,s,
C,14,27.27,s,
C,15,27.27,s,
C,16,41.24,s,
C,17,18.74,s,
C,18,36.21,s,
C,19,39.31,s,
C,20,22.12,s,
C,21,118.22,s,
C,22,151.34,s,
O,23,,,
C,24,180.09,s,
O,25,,,
H,26,1.2,d,6.0
H,27,1.2,d,6.0
H,28,1.2,d,6.0
H,29,3.88,qt,"6.0,5.7"
H,30,,,
H,31,2.56,d,5.7
H,32,2.56,d,5.7
H,33,,,
H,34,6.22,s,
H,35,2.97,s,
H,36,1.0,s,
H,37,1.0,s,
H,38,1.0,s,
H,39,1.0,s,
H,40,1.0,s,
H,41,1.0,s,
H,42,1.28,ddd,"12.4,10.7,2.1"
H,43,1.28,ddd,"12.4,11.7,5.0"
H,44,1.56,m,
H,45,1.56,m,
H,46,1.77,ddd,"12.4,5.9,4.0"
H,47,1.77,ddd,"13.6,12.4,3.6"
H,48,1.19,s,
H,49,1.19,s,
H,50,1.19,s,
H,51,,,
