C,1,11.9,s,
C,2,28.3,s,
C,3,40.25,s,
C,4,34.31,s,
C,5,40.4,s,
C,6,32.61,s,
C,7,33.7,s,
C,8,141.9,s,
N,9,,,
C,10,134.2,s,
C,11,110.2,s,
C,12,121.21,s,
C,13,119.0,s,
C,14,117.5,s,
C,15,128.3,s,
C,16,109.7,s,
C,17,21.34,s,
C,18,49.76,s,
N,19,,,
C,20,86.56,s,
O,21,,,
C,22,60.03,s,
H,23,0.88,t,7.0
H,24,0.88,t,7.0
H,25,0.88,t,7.0
H,26,1.44,qd,"7.0,6.0"
H,27,1.44,qd,"7.0,6.0"
H,28,2.37,m,
H,29,1.89,ddd,"12.4,8.1,2.1"
H,30,1.89,ddd,"12.4,9.4,4.8"
H,31,2.83,ddq,"4.8,4.7,2.1"
H,32,1.66,ddd,"12.4,8.5,2.1"
H,33,1.66,ddd,"12.4,10.1,4.7"
H,34,2.83,ddd,"10.1,8.5,1.8"
H,35,,,
H,36,7.2,ddd,"7.1,1.4,0.5"
H,37,7.18,ddd,"8.1,7.1,1.4"
H,38,7.13,ddd,"8.1,7.0,1.4"
H,39,7.52,ddd,"7.0,1.4,0.5"
H,40,3.15,ddd,"13.4,12.6,4.0"
H,41,3.15,ddd,"13.4,4.7,3.0"
H,42,3.34,ddd,"12.4,4.0,3.0"
H,43,3.34,ddd,"12.6,12.4,4.7"
H,44,5.52,d,2.1
H,45,,,
H,46,3.85,dd,"1.8,1.3"
