C,1,15.9,s,
C,2,40.01,s,
C,3,30.5,s,
C,4,77.48,s,
O,5,,,
C,6,59.33,s,
C,7,23.44,s,
Cl,8,,,
C,9,172.75,s,
O,10,,,
O,11,,,
C,12,76.6,s,
C,13,34.8,s,
C,14,53.65,s,
N,15,,,
C,16,62.9,s,
C,17,128.4,s,
C,18,131.7,s,
C,19,62.66,s,
O,20,,,
C,21,179.2,s,
O,22,,,
C,23,74.35,s,
C,24,25.14,s,
O,25,,,
C,26,75.5,s,
H,27,1.0,d,6.6
H,28,1.0,d,6.6
H,29,1.0,d,6.6
H,30,1.93,qdd,"6.6,4.0,2.8"
H,31,2.05,dd,"12.4,4.0"
H,32,2.05,dd,"12.4,2.8"
H,33,,,
H,34,4.51,q,6.5
H,35,1.62,d,6.5
H,36,1.62,d,6.5
H,37,1.62,d,6.5
H,38,5.43,ddd,"8.4,6.9,1.2"
H,39,2.03,m,
H,40,2.03,m,
H,41,3.16,ddd,"9.4,6.5,0.7"
H,42,3.16,ddd,"12.5,9.4,6.5"
H,43,3.72,dd,"9.4,4.1"
H,44,3.72,dd,"9.4,3.1"
H,45,5.99,dd,"4.1,3.1"
H,46,4.63,s,
H,47,4.63,s,
H,48,1.47,s,
H,49,1.47,s,
H,50,1.47,s,
H,51,,,
H,52,4.38,d,8.4
