C,1,22.3,s,
C,2,26.0,s,
C,3,22.3,s,
C,4,43.3,s,
C,5,180.0,s,
O,6,,,
O,7,,,
N,8,,,
C,9,42.71,s,
C,10,29.58,s,
C,11,112.6,s,
C,12,122.51,s,
N,13,,,
C,14,136.32,s,
C,15,111.2,s,
C,16,121.51,s,
C,17,119.15,s,
C,18,118.08,s,
C,19,127.4,s,
H,20,0.99,d,6.4
H,21,0.99,d,6.4
H,22,0.99,d,6.4
H,23,2.12,m,"6.4,6.1"
H,24,0.99,d,6.4
H,25,0.99,d,6.4
H,26,0.99,d,6.4
H,27,2.23,d,6.1
H,28,2.23,d,6.1
H,29,,,
H,30,,,
H,31,,,
H,32,2.98,t,6.7
H,33,2.98,t,6.7
H,34,2.83,t,6.7
H,35,2.83,t,6.7
H,36,7.13,d,0.5
H,37,,,
H,38,7.34,ddd,"7.0,1.4,0.5"
H,39,7.14,ddd,"8.6,7.0,1.4"
H,40,7.01,ddd,"8.6,7.9,1.4"
H,41,7.58,ddt,"7.9,1.4,0.5"
