C,1,44.23,s,
N,2,,,
C,3,53.9,s,
C,4,38.94,s,
C,5,41.86,s,
C,6,,,
O,7,,,
C,8,48.61,s,
C,9,79.96,s,
O,10,,,
C,11,132.07,s,
C,12,124.26,s,
C,13,66.91,s,
O,14,,,
C,15,159.45,s,
C,16,99.21,s,
C,17,165.24,s,
O,18,,,
N,19,,,
C,20,142.35,s,
C,21,116.11,s,
C,22,131.17,s,
C,23,122.44,s,
C,24,124.58,s,
C,25,134.28,s,
C,26,61.05,s,
C,27,40.4,s,
C,28,51.67,s,
H,29,2.4,s,
H,30,2.4,s,
H,31,2.4,s,
H,32,3.15,ddd,"12.4,7.3,2.1"
H,33,3.15,ddd,"12.4,11.4,6.3"
H,34,2.18,ddd,"12.4,6.3,2.1"
H,35,2.18,ddd,"12.4,11.4,7.3"
H,36,2.84,s,
H,37,2.84,s,
H,38,,,
H,39,5.7,dd,"5.6,2.6"
H,40,4.45,dd,"14.4,2.6"
H,41,4.45,dd,"14.4,5.6"
H,42,5.47,s,
H,43,7.32,ddd,"8.6,1.4,0.5"
H,44,7.43,ddd,"8.6,7.1,1.4"
H,45,6.94,ddd,"7.9,7.1,1.4"
H,46,7.25,ddd,"7.9,1.4,0.5"
H,47,3.54,d,12.4
H,48,2.83,d,12.4
H,49,3.82,s,
H,50,3.82,s,
