C,1,52.08,s,
O,2,,,
C,3,172.96,s,
O,4,,,
C,5,40.4,s,
C,6,62.1,s,
C,7,29.58,s,
C,8,25.85,s,
C,9,55.33,s,
N,10,,,
C,11,60.58,s,
C,12,77.48,s,
C,13,25.81,s,
O,14,,,
H,15,3.62,s,
H,16,3.62,s,
H,17,3.62,s,
H,18,4.41,d,8.7
H,19,3.6,ddd,"11.2,8.7,7.7"
H,20,1.75,m,
H,21,1.75,m,
H,22,1.89,m,
H,23,1.89,m,
H,24,2.92,ddd,"12.8,9.4,6.2"
H,25,2.92,ddd,"9.4,5.8,1.1"
H,26,3.05,s,
H,27,3.05,s,
H,28,1.4,s,
H,29,1.4,s,
H,30,1.4,s,
H,31,,,
