C,1,42.3,s,
N,2,,,
C,3,56.65,s,
C,4,32.98,s,
C,5,127.8,s,
C,6,110.47,s,
C,7,147.78,s,
C,8,147.55,s,
C,9,106.81,s,
C,10,142.71,s,
C,11,80.64,s,
O,12,,,
C,13,95.87,s,
O,14,,,
C,15,126.68,s,
C,16,131.87,s,
C,17,127.65,s,
C,18,111.07,s,
C,19,147.38,s,
C,20,145.43,s,
O,21,,,
C,22,101.57,s,
O,23,,,
C,24,66.45,s,
O,25,,,
C,26,101.35,s,
O,27,,,
H,28,2.35,s,
H,29,2.35,s,
H,30,2.35,s,
H,31,3.34,ddd,"12.4,11.5,3.5"
H,32,3.34,ddd,"12.4,11.2,4.3"
H,33,2.91,ddd,"13.4,11.5,4.3"
H,34,2.91,ddd,"13.4,11.2,3.5"
H,35,6.68,d,0.5
H,36,6.6,d,0.5
H,37,5.11,d,11.5
H,38,5.21,s,
H,39,,,
H,40,7.32,d,8.2
H,41,6.84,d,8.2
H,42,5.88,s,
H,43,5.88,s,
H,44,4.28,d,11.5
H,45,5.88,s,
H,46,5.88,s,
