C,1,38.72,s,
N,2,,,
C,3,53.1,s,
C,4,40.0,s,
C,5,86.61,s,
O,6,,,
C,7,131.4,s,
C,8,123.7,s,
C,9,119.5,s,
C,10,130.5,s,
C,11,110.8,s,
C,12,149.3,s,
N,13,,,
C,14,85.8,s,
H,15,2.3,s,
H,16,2.3,s,
H,17,2.3,s,
H,18,3.34,ddd,"9.4,6.5,0.4"
H,19,3.34,ddd,"12.9,9.4,7.3"
H,20,1.7,ddd,"12.4,7.3,0.4"
H,21,1.7,ddd,"12.9,12.4,6.5"
H,22,,,
H,23,7.48,ddd,"7.0,1.4,0.5"
H,24,6.87,ddd,"7.4,7.0,1.4"
H,25,7.22,ddd,"7.6,7.4,1.4"
H,26,7.15,ddd,"7.6,1.4,0.5"
H,27,,,
H,28,5.84,s,
