C,1,23.44,s,
C,2,59.33,s,
Cl,3,,,
C,4,77.48,s,
O,5,,,
C,6,30.5,s,
C,7,40.01,s,
C,8,15.9,s,
C,9,74.35,s,
C,10,25.14,s,
O,11,,,
C,12,179.2,s,
O,13,,,
O,14,,,
C,15,60.9,s,
C,16,138.16,s,
C,17,125.17,s,
C,18,50.97,s,
N,19,,,
C,20,44.23,s,
C,21,49.76,s,
C,22,31.28,s,
C,23,78.42,s,
O,24,,,
C,25,172.75,s,
O,26,,,
C,27,197.18,s,
O,28,,,
H,29,1.62,d,6.5
H,30,1.62,d,6.5
H,31,1.62,d,6.5
H,32,4.51,q,6.5
H,33,,,
H,34,2.05,dd,"12.4,3.2"
H,35,2.05,dd,"12.4,6.1"
H,36,1.93,qdd,"6.6,6.1,3.2"
H,37,1.0,d,6.6
H,38,1.0,d,6.6
H,39,1.0,d,6.6
H,40,1.47,s,
H,41,1.47,s,
H,42,1.47,s,
H,43,,,
H,44,4.78,s,
H,45,4.78,s,
H,46,5.85,dd,"3.8,3.6"
H,47,4.04,dd,"15.4,3.6"
H,48,4.04,dd,"15.4,3.8"
H,49,2.4,s,
H,50,2.4,s,
H,51,2.4,s,
H,52,3.34,ddd,"12.4,6.1,1.8"
H,53,3.34,ddd,"12.4,10.0,2.0"
H,54,2.08,m,
H,55,2.08,m,
H,56,4.87,dd,"4.1,3.7"
