C,1,16.94,s,
C,2,71.22,s,
O,3,,,
C,4,96.6,s,
C,5,60.58,s,
N,6,,,
C,7,51.91,s,
C,8,38.94,s,
C,9,41.86,s,
C,10,134.28,s,
C,11,124.58,s,
C,12,122.44,s,
C,13,131.17,s,
C,14,116.11,s,
C,15,146.1,s,
N,16,,,
C,17,35.85,s,
C,18,57.53,s,
C,19,56.75,s,
C,20,36.24,s,
C,21,46.95,s,
C,22,52.6,s,
C,23,172.96,s,
O,24,,,
O,25,,,
H,26,1.31,d,6.2
H,27,1.31,d,6.2
H,28,1.31,d,6.2
H,29,4.49,q,6.2
H,30,,,
H,31,3.05,s,
H,32,3.05,s,
H,33,2.64,ddd,"12.4,11.4,2.8"
H,34,2.64,ddd,"12.4,11.3,4.4"
H,35,2.18,ddd,"12.4,11.4,4.4"
H,36,2.18,ddd,"12.4,11.3,2.8"
H,37,7.25,ddd,"7.2,1.4,0.5"
H,38,6.94,ddd,"7.2,7.1,1.4"
H,39,7.43,ddd,"7.2,7.1,1.4"
H,40,7.32,ddd,"7.2,1.4,0.5"
H,41,3.18,s,
H,42,3.18,s,
H,43,3.18,s,
H,44,4.28,d,1.6
H,45,2.3,ddd,"4.9,2.0,1.6"
H,46,1.87,ddd,"12.4,4.2,2.0"
H,47,1.87,ddd,"12.4,4.9,2.4"
H,48,2.13,ddd,"8.1,4.2,2.4"
H,49,3.08,d,8.1
