C,1,112.49,s,
C,2,145.56,s,
C,3,41.86,s,
C,4,23.79,s,
C,5,57.53,s,
N,6,,,
C,7,126.75,s,
C,8,77.48,s,
O,9,,,
C,10,195.69,s,
O,11,,,
C,12,121.33,s,
C,13,145.91,s,
N,14,,,
C,15,164.55,s,
O,16,,,
C,17,124.0,s,
C,18,128.11,s,
C,19,123.73,s,
C,20,146.19,s,
C,21,39.33,s,
C,22,27.2,s,
C,23,27.2,s,
C,24,52.87,s,
C,25,42.07,s,
C,26,71.43,s,
Cl,27,,,
H,28,4.9,dd,"12.0,2.5"
H,29,4.9,dd,"16.0,2.5"
H,30,5.85,dd,"16.0,12.0"
H,31,1.13,s,
H,32,1.13,s,
H,33,1.13,s,
H,34,4.28,s,
H,35,4.4,s,
H,36,4.4,s,
H,37,,,
H,38,6.53,s,
H,39,,,
H,40,7.48,dd,"7.3,1.4"
H,41,7.19,dd,"9.1,7.3"
H,42,7.11,dd,"9.1,1.4"
H,43,1.28,s,
H,44,1.28,s,
H,45,1.28,s,
H,46,1.28,s,
H,47,1.28,s,
H,48,1.28,s,
H,49,2.29,dd,"11.6,2.6"
H,50,2.32,ddd,"12.8,12.4,11.6"
H,51,2.32,ddd,"12.4,4.2,2.6"
H,52,4.51,dd,"12.8,4.2"
