C,1,18.87,s,
C,2,40.4,s,
C,3,81.41,s,
O,4,,,
S,5,,,
O,6,,,
O,7,,,
O,8,,,
C,9,36.08,s,
C,10,58.68,s,
C,11,40.43,s,
C,12,60.2,s,
C,13,73.63,s,
O,14,,,
C,15,162.55,s,
C,16,95.32,s,
C,17,164.38,s,
O,18,,,
N,19,,,
C,20,163.87,s,
O,21,,,
N,22,,,
N,23,,,
C,24,154.56,s,
N,25,,,
C,26,49.05,s,
C,27,57.53,s,
N,28,,,
H,29,1.03,d,6.6
H,30,1.03,d,6.6
H,31,1.03,d,6.6
H,32,2.83,qdd,"6.6,4.3,1.5"
H,33,4.57,ddd,"11.0,5.5,4.3"
H,34,,,
H,35,2.2,ddd,"12.4,5.5,3.8"
H,36,2.2,ddd,"12.4,11.0,10.1"
H,37,3.77,m,
H,38,2.05,ddd,"12.4,12.2,11.2"
H,39,2.05,ddd,"12.4,3.9,1.7"
H,40,4.28,ddd,"11.2,5.0,1.7"
H,41,4.52,d,5.0
H,42,,,
H,43,6.12,s,
H,44,,,
H,45,,,
H,46,,,
H,47,3.81,dd,"12.4,10.4"
H,48,3.81,dd,"12.4,7.8"
H,49,3.14,ddd,"10.4,7.8,1.5"
