C,1,17.64,s,
C,2,72.56,s,
O,3,,,
C,4,97.21,s,
O,5,,,
C,6,73.94,s,
C,7,19.72,s,
C,8,30.57,s,
C,9,31.51,s,
C,10,180.71,s,
O,11,,,
O,12,,,
C,13,69.69,s,
O,14,,,
C,15,36.58,s,
C,16,76.51,s,
O,17,,,
C,18,163.6,s,
O,19,,,
C,20,106.87,s,
C,21,132.93,s,
N,22,,,
C,23,136.1,s,
C,24,113.81,s,
C,25,122.65,s,
C,26,121.4,s,
C,27,122.0,s,
C,28,126.7,s,
H,29,1.21,d,6.1
H,30,1.21,d,6.1
H,31,1.21,d,6.1
H,32,4.02,dq,"9.3,6.1"
H,33,4.73,d,3.3
H,34,3.96,qt,"6.0,5.5"
H,35,1.17,d,6.0
H,36,1.17,d,6.0
H,37,1.17,d,6.0
H,38,1.8,td,"6.8,5.5"
H,39,1.8,td,"6.8,5.5"
H,40,2.49,t,6.8
H,41,2.49,t,6.8
H,42,,,
H,43,3.77,ddd,"4.5,3.3,2.3"
H,44,,,
H,45,2.09,ddd,"12.4,10.5,4.5"
H,46,2.09,ddd,"12.4,2.3,2.0"
H,47,5.09,ddd,"10.5,9.3,2.0"
H,48,7.94,d,0.5
H,49,,,
H,50,7.5,ddd,"6.2,1.4,0.5"
H,51,7.14,ddd,"8.6,6.2,1.4"
H,52,7.15,ddd,"8.6,6.9,1.4"
H,53,7.99,ddt,"6.9,1.4,0.5"
