C,1,14.7,s,
S,2,,,
C,3,67.4,s,
C,4,36.1,s,
C,5,108.3,s,
C,6,125.4,s,
N,7,,,
C,8,136.4,s,
C,9,111.5,s,
C,10,121.51,s,
C,11,120.3,s,
C,12,119.1,s,
C,13,128.3,s,
N,14,,,
C,15,168.9,s,
O,16,,,
C,17,92.26,s,
O,18,,,
C,19,36.43,s,
C,20,17.08,s,
C,21,17.08,s,
N,22,,,
C,23,166.4,s,
O,24,,,
H,25,1.74,s,
H,26,1.74,s,
H,27,1.74,s,
H,28,2.05,s,
H,29,2.05,s,
H,30,7.12,d,0.5
H,31,,,
H,32,7.34,ddd,"8.2,1.4,0.5"
H,33,7.14,ddd,"8.2,6.6,1.4"
H,34,7.01,ddd,"7.0,6.6,1.4"
H,35,7.57,ddt,"7.0,1.4,0.5"
H,36,7.97,s,
H,37,,,
H,38,3.86,m,6.6
H,39,1.07,d,6.6
H,40,1.07,d,6.6
H,41,1.07,d,6.6
H,42,1.07,d,6.6
H,43,1.07,d,6.6
H,44,1.07,d,6.6
H,45,8.52,s,
