C,1,55.67,s,
O,2,,,
C,3,151.4,s,
C,4,110.77,s,
C,5,127.53,s,
C,6,125.36,s,
C,7,126.3,s,
C,8,144.6,s,
O,9,,,
C,10,59.75,s,
C,11,131.6,s,
C,12,127.3,s,
C,13,126.4,s,
C,14,126.7,s,
C,15,127.7,s,
C,16,135.9,s,
C,17,36.04,s,
C,18,60.72,s,
N,19,,,
C,20,170.52,s,
C,21,22.41,s,
O,22,,,
C,23,39.76,s,
C,24,28.2,s,
H,25,3.81,s,
H,26,3.81,s,
H,27,3.81,s,
H,28,6.73,s,
H,29,3.78,s,
H,30,3.78,s,
H,31,3.78,s,
H,32,7.67,ddd,"9.8,1.4,0.5"
H,33,7.39,ddd,"9.8,6.3,1.4"
H,34,7.3,ddd,"7.5,6.3,1.4"
H,35,7.3,ddd,"7.5,1.4,0.5"
H,36,2.9,dd,"15.4,13.7"
H,37,2.9,dd,"15.4,2.3"
H,38,4.39,dd,"13.7,2.3"
H,39,1.67,s,
H,40,1.67,s,
H,41,1.67,s,
H,42,4.09,ddd,"12.4,11.2,8.0"
H,43,4.09,ddd,"12.4,7.5,1.9"
H,44,2.85,ddd,"15.4,8.0,1.9"
H,45,2.85,ddd,"15.4,11.2,7.5"
