C,1,29.13,s,
C,2,64.65,s,
C,3,29.13,s,
S,4,,,
C,5,66.95,s,
C,6,58.4,s,
N,7,,,
C,8,173.9,s,
O,9,,,
C,10,42.5,s,
C,11,134.8,s,
C,12,129.8,s,
C,13,127.85,s,
C,14,127.17,s,
C,15,127.85,s,
C,16,129.8,s,
C,17,171.5,s,
O,18,,,
N,19,,,
C,20,73.25,s,
C,21,172.0,s,
O,22,,,
O,23,,,
H,24,1.5,s,
H,25,1.5,s,
H,26,1.5,s,
H,27,1.5,s,
H,28,1.5,s,
H,29,1.5,s,
H,30,5.51,d,8.1
H,31,5.64,dd,"8.1,7.0"
H,32,7.4,d,7.0
H,33,3.47,s,
H,34,3.47,s,
H,35,7.13,m,
H,36,7.21,m,
H,37,7.22,ddt,"7.1,6.8,1.4"
H,38,7.21,m,
H,39,7.13,m,
H,40,4.61,s,
H,41,,,
