C,1,112.49,s,
C,2,145.56,s,
C,3,43.12,s,
C,4,48.86,s,
C,5,41.86,s,
C,6,174.33,s,
O,7,,,
O,8,,,
C,9,52.29,s,
C,10,176.68,s,
O,11,,,
N,12,,,
C,13,134.8,s,
C,14,115.4,s,
C,15,127.2,s,
C,16,122.44,s,
C,17,124.58,s,
C,18,134.28,s,
C,19,41.86,s,
C,20,38.94,s,
C,21,51.33,s,
N,22,,,
C,23,55.9,s,
C,24,56.45,s,
O,25,,,
C,26,62.39,s,
C,27,74.2,s,
H,28,4.9,dd,"16.0,2.5"
H,29,4.9,dd,"12.0,2.5"
H,30,5.85,dd,"16.0,12.0"
H,31,2.06,s,
H,32,2.06,s,
H,33,3.63,s,
H,34,3.63,s,
H,35,3.63,s,
H,36,11.03,s,
H,37,7.15,ddd,"7.3,1.4,0.5"
H,38,7.22,ddd,"7.3,6.8,1.4"
H,39,6.94,ddd,"8.2,6.8,1.4"
H,40,7.25,ddd,"8.2,1.4,0.5"
H,41,2.18,ddd,"12.4,10.9,7.3"
H,42,2.18,ddd,"12.4,9.3,1.8"
H,43,3.11,ddd,"9.4,9.3,7.3"
H,44,3.11,ddd,"10.9,9.4,1.8"
H,45,3.69,dd,"12.4,3.7"
H,46,3.69,dd,"12.4,0.9"
H,47,4.52,ddd,"5.3,3.7,0.9"
H,48,3.08,d,5.3
H,49,4.28,s,
