C,1,48.45,s,
N,2,,,
C,3,48.45,s,
C,4,62.53,s,
C,5,28.05,s,
C,6,138.21,s,
C,7,110.47,s,
C,8,147.78,s,
C,9,147.29,s,
C,10,111.52,s,
C,11,130.1,s,
C,12,71.6,s,
C,13,73.63,s,
O,14,,,
C,15,168.48,s,
O,16,,,
C,17,114.8,s,
C,18,142.71,s,
C,19,121.64,s,
C,20,113.1,s,
C,21,149.1,s,
C,22,144.5,s,
O,23,,,
C,24,103.3,s,
O,25,,,
O,26,,,
C,27,101.35,s,
O,28,,,
Cl,29,,,
H,30,3.43,s,
H,31,3.43,s,
H,32,3.43,s,
H,33,3.43,s,
H,34,3.43,s,
H,35,3.43,s,
H,36,3.52,ddd,"12.4,10.8,1.9"
H,37,3.52,ddd,"12.4,10.4,7.6"
H,38,3.01,ddd,"15.4,10.8,7.6"
H,39,3.01,ddd,"15.4,10.4,1.9"
H,40,6.68,d,0.5
H,41,6.58,d,0.5
H,42,4.86,d,5.3
H,43,7.13,d,5.3
H,44,7.22,d,8.2
H,45,6.55,d,8.2
H,46,5.88,s,
H,47,5.88,s,
H,48,5.88,s,
H,49,5.88,s,
