C,1,19.8,s,
C,2,71.6,s,
C,3,33.8,s,
C,4,124.97,s,
C,5,131.96,s,
S,6,,,
C,7,34.51,s,
C,8,57.53,s,
N,9,,,
C,10,162.36,s,
O,11,,,
C,12,143.45,s,
C,13,140.72,s,
O,14,,,
C,15,162.2,s,
N,16,,,
C,17,34.9,s,
C,18,67.83,s,
O,19,,,
C,20,38.53,s,
C,21,69.24,s,
O,22,,,
C,23,136.1,s,
C,24,130.27,s,
C,25,132.45,s,
C,26,127.92,s,
C,27,53.31,s,
N,28,,,
C,29,162.36,s,
O,30,,,
C,31,171.36,s,
O,32,,,
O,33,,,
H,34,1.29,d,6.1
H,35,1.29,d,6.1
H,36,1.29,d,6.1
H,37,4.53,qdd,"6.1,3.7,3.6"
H,38,2.44,ddd,"15.4,6.5,3.6"
H,39,2.44,ddd,"15.4,6.0,3.7"
H,40,5.74,dd,"6.5,6.0"
H,41,3.23,dd,"12.4,10.5"
H,42,3.23,dd,"12.4,3.5"
H,43,4.28,dd,"10.5,3.5"
H,44,,,
H,45,7.86,s,
H,46,2.95,dd,"15.4,6.0"
H,47,2.95,dd,"15.4,9.6"
H,48,3.93,m,
H,49,,,
H,50,2.43,ddd,"12.4,6.5,4.4"
H,51,2.43,ddd,"12.4,11.9,9.2"
H,52,4.42,ddd,"11.9,4.4,3.7"
H,53,,,
H,54,6.14,d,3.7
H,55,6.99,d,3.6
H,56,6.87,d,3.6
H,57,5.89,dd,"8.4,5.4"
H,58,4.11,dd,"15.4,8.4"
H,59,4.11,dd,"15.4,5.4"
H,60,,,
