C,1,38.98,s,
N,2,,,
C,3,162.36,s,
O,4,,,
C,5,30.1,s,
C,6,24.64,s,
C,7,145.24,s,
N,8,,,
C,9,136.4,s,
C,10,167.1,s,
O,11,,,
O,12,,,
C,13,52.71,s,
C,14,116.5,s,
C,15,128.4,s,
C,16,135.33,s,
N,17,,,
C,18,141.2,s,
C,19,112.6,s,
C,20,128.28,s,
C,21,120.35,s,
C,22,121.7,s,
C,23,121.9,s,
H,24,3.15,s,
H,25,3.15,s,
H,26,3.15,s,
H,27,,,
H,28,2.05,t,6.9
H,29,2.05,t,6.9
H,30,3.4,t,6.9
H,31,3.4,t,6.9
H,32,4.03,s,
H,33,4.03,s,
H,34,4.03,s,
H,35,8.7,d,0.5
H,36,,,
H,37,7.24,ddd,"6.5,1.4,0.5"
H,38,7.25,ddd,"8.0,6.5,1.4"
H,39,7.08,ddd,"8.0,7.2,1.4"
H,40,7.99,ddt,"7.2,1.4,0.5"
