C,1,18.87,s,
C,2,40.4,s,
C,3,61.63,s,
N,4,,,
C,5,47.35,s,
C,6,25.26,s,
C,7,30.26,s,
C,8,38.1,s,
C,9,22.8,s,
C,10,30.78,s,
C,11,71.11,s,
O,12,,,
H,13,1.03,d,6.6
H,14,1.03,d,6.6
H,15,1.03,d,6.6
H,16,2.83,qdd,"6.6,5.1,4.4"
H,17,4.28,dd,"5.1,2.7"
H,18,,,
H,19,2.92,ddd,"12.4,8.9,8.6"
H,20,2.92,ddd,"12.4,9.8,1.0"
H,21,1.57,m,
H,22,1.57,m,
H,23,1.58,m,
H,24,1.58,m,
H,25,2.14,m,
H,26,2.03,m,
H,27,2.03,m,
H,28,1.8,m,
H,29,1.8,m,
H,30,4.19,ddd,"4.4,3.2,2.0"
H,31,,,
