C,1,56.11,s,
O,2,,,
C,3,153.95,s,
C,4,113.19,s,
C,5,41.86,s,
C,6,38.94,s,
C,7,46.2,s,
N,8,,,
C,9,42.74,s,
C,10,62.1,s,
C,11,21.67,s,
C,12,127.6,s,
C,13,118.77,s,
C,14,109.1,s,
C,15,145.2,s,
O,16,,,
C,17,55.8,s,
C,18,143.15,s,
O,19,,,
C,20,131.53,s,
C,21,42.9,s,
C,22,43.37,s,
C,23,194.03,s,
O,24,,,
H,25,3.87,s,
H,26,3.87,s,
H,27,3.87,s,
H,28,6.25,s,
H,29,2.18,ddd,"12.4,10.1,8.5"
H,30,2.18,ddd,"12.4,7.8,1.4"
H,31,2.58,ddd,"12.4,8.5,1.4"
H,32,2.58,ddd,"12.4,10.1,7.8"
H,33,2.35,s,
H,34,2.35,s,
H,35,2.35,s,
H,36,3.6,ddd,"6.7,3.2,1.7"
H,37,3.01,dd,"15.4,6.7"
H,38,3.01,dd,"15.4,1.7"
H,39,6.62,d,6.5
H,40,6.83,d,6.5
H,41,3.88,s,
H,42,3.88,s,
H,43,3.88,s,
H,44,,,
H,45,1.94,ddd,"10.1,7.3,3.2"
H,46,2.74,dd,"15.4,7.3"
H,47,2.74,dd,"15.4,10.1"
