C,1,38.98,s,
N,2,,,
C,3,156.17,s,
N,4,,,
C,5,49.88,s,
C,6,37.78,s,
C,7,33.89,s,
C,8,67.25,s,
O,9,,,
C,10,70.43,s,
N,11,,,
N,12,,,
O,13,,,
O,14,,,
H,15,4.12,s,
H,16,4.12,s,
H,17,4.12,s,
H,18,,,
H,19,3.21,d,5.8
H,20,3.21,d,5.8
H,21,1.43,m,
H,22,1.79,m,
H,23,1.79,m,
H,24,3.95,ddd,"13.2,6.4,5.1"
H,25,3.95,ddd,"6.4,5.3,0.6"
H,26,4.04,dd,"11.8,6.4"
H,27,4.04,dd,"6.4,5.4"
H,28,,,
