C,1,119.0,s,
C,2,142.4,s,
C,3,170.19,s,
O,4,,,
O,5,,,
C,6,80.5,s,
C,7,35.3,s,
C,8,40.01,s,
C,9,15.9,s,
C,10,82.84,s,
O,11,,,
C,12,170.11,s,
C,13,21.54,s,
O,14,,,
C,15,40.59,s,
C,16,60.94,s,
O,17,,,
C,18,64.49,s,
C,19,17.2,s,
C,20,40.4,s,
C,21,32.61,s,
C,22,52.2,s,
H,23,5.85,s,
H,24,5.85,s,
H,25,4.88,ddd,"4.9,3.4,2.8"
H,26,1.88,ddd,"12.4,5.2,4.9"
H,27,1.88,ddd,"12.4,4.0,2.8"
H,28,1.93,qdd,"6.6,5.2,4.0"
H,29,1.0,d,6.6
H,30,1.0,d,6.6
H,31,1.0,d,6.6
H,32,1.32,s,
H,33,1.32,s,
H,34,1.32,s,
H,35,2.27,dd,"12.4,1.7"
H,36,2.27,dd,"12.4,9.0"
H,37,3.37,dd,"9.0,1.7"
H,38,1.4,s,
H,39,1.4,s,
H,40,1.4,s,
H,41,3.58,dd,"7.8,1.5"
H,42,1.66,ddd,"12.4,4.4,1.5"
H,43,1.66,ddd,"12.4,11.7,7.8"
H,44,3.25,ddd,"11.7,4.4,3.4"
