C,1,23.24,s,
C,2,134.81,s,
C,3,132.74,s,
C,4,48.31,s,
C,5,42.38,s,
C,6,145.17,s,
C,7,122.7,s,
C,8,33.8,s,
C,9,73.63,s,
C,10,69.05,s,
C,11,28.93,s,
C,12,28.93,s,
Cl,13,,,
O,14,,,
C,15,68.2,s,
C,16,28.16,s,
C,17,34.93,s,
C,18,61.74,s,
C,19,26.69,s,
N,20,,,
C,21,164.55,s,
O,22,,,
C,23,45.75,s,
C,24,19.9,s,
C,25,30.49,s,
H,26,1.67,s,
H,27,1.67,s,
H,28,1.67,s,
H,29,5.92,d,2.7
H,30,3.02,ddd,"12.1,12.0,2.7"
H,31,2.99,ddd,"12.7,12.1,4.8"
H,32,5.54,dd,"6.5,3.6"
H,33,2.44,ddd,"15.4,6.5,1.7"
H,34,2.44,ddd,"15.4,11.5,3.6"
H,35,5.66,dd,"11.5,1.7"
H,36,1.79,s,
H,37,1.79,s,
H,38,1.79,s,
H,39,1.79,s,
H,40,1.79,s,
H,41,1.79,s,
H,42,4.78,s,
H,43,4.78,s,
H,44,1.58,m,
H,45,1.58,m,
H,46,1.99,ddd,"12.4,4.1,3.2"
H,47,1.99,ddd,"13.6,12.4,2.8"
H,48,1.41,s,
H,49,1.41,s,
H,50,1.41,s,
H,51,6.53,s,
H,52,,,
H,53,2.83,ddd,"12.0,11.6,2.1"
H,54,1.58,m,
H,55,1.58,m,
H,56,2.15,ddd,"15.4,12.8,8.3"
H,57,2.15,ddd,"15.4,6.5,1.0"
