C,1,18.8,s,
C,2,34.5,s,
C,3,81.4,s,
O,4,,,
C,5,170.8,s,
C,6,118.2,s,
C,7,179.22,s,
O,8,,,
C,9,186.48,s,
O,10,,,
C,11,133.04,s,
C,12,126.2,s,
C,13,122.5,s,
C,14,125.37,s,
C,15,146.19,s,
C,16,135.07,s,
C,17,133.81,s,
C,18,131.87,s,
C,19,38.16,s,
C,20,41.62,s,
C,21,29.66,s,
C,22,29.66,s,
H,23,1.26,d,6.7
H,24,1.26,d,6.7
H,25,1.26,d,6.7
H,26,3.4,qdd,"6.7,4.1,0.3"
H,27,4.04,dd,"6.4,0.3"
H,28,4.04,dd,"6.4,4.1"
H,29,7.56,s,
H,30,7.56,s,
H,31,7.31,d,11.0
H,32,5.83,ddd,"11.0,4.5,3.5"
H,33,2.22,dd,"15.4,4.5"
H,34,2.22,dd,"15.4,3.5"
H,35,1.21,s,
H,36,1.21,s,
H,37,1.21,s,
H,38,1.21,s,
H,39,1.21,s,
H,40,1.21,s,
