C,1,112.49,s,
C,2,145.56,s,
C,3,41.86,s,
C,4,23.79,s,
C,5,75.84,s,
O,6,,,
C,7,35.12,s,
C,8,50.54,s,
C,9,47.6,s,
C,10,116.03,s,
C,11,124.54,s,
N,12,,,
C,13,134.46,s,
C,14,109.93,s,
C,15,126.02,s,
C,16,123.84,s,
C,17,145.96,s,
C,18,126.18,s,
C,19,39.33,s,
C,20,27.2,s,
C,21,27.2,s,
C,22,57.53,s,
N,23,,,
C,24,134.46,s,
S,25,,,
H,26,4.9,dd,"12.0,2.5"
H,27,4.9,dd,"16.0,2.5"
H,28,5.85,dd,"16.0,12.0"
H,29,1.13,s,
H,30,1.13,s,
H,31,1.13,s,
H,32,4.12,dd,"4.6,2.4"
H,33,,,
H,34,1.88,ddd,"12.4,3.6,2.4"
H,35,1.88,ddd,"12.6,12.4,4.6"
H,36,1.61,ddd,"12.6,4.7,3.6"
H,37,3.85,dd,"6.8,4.7"
H,38,6.89,s,
H,39,,,
H,40,7.18,dd,"6.5,1.4"
H,41,7.16,dd,"9.2,6.5"
H,42,6.95,dd,"9.2,1.4"
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,49,4.28,d,6.8
