C,1,6.8,s,
C,2,30.1,s,
C,3,33.6,s,
C,4,29.04,s,
C,5,21.02,s,
C,6,46.8,s,
N,7,,,
C,8,51.11,s,
C,9,18.46,s,
C,10,104.7,s,
C,11,136.6,s,
N,12,,,
C,13,137.9,s,
C,14,111.85,s,
C,15,121.55,s,
C,16,120.15,s,
C,17,118.22,s,
C,18,128.11,s,
C,19,78.55,s,
O,20,,,
C,21,39.63,s,
C,22,65.6,s,
C,23,6.8,s,
C,24,30.1,s,
C,25,33.6,s,
C,26,29.04,s,
C,27,21.02,s,
C,28,46.8,s,
N,29,,,
C,30,51.11,s,
C,31,18.46,s,
C,32,104.7,s,
C,33,136.6,s,
N,34,,,
C,35,137.9,s,
C,36,111.85,s,
C,37,121.55,s,
C,38,120.15,s,
C,39,118.22,s,
C,40,128.11,s,
C,41,78.55,s,
O,42,,,
C,43,39.63,s,
C,44,65.6,s,
H,45,0.63,t,7.1
H,46,0.63,t,7.1
H,47,0.63,t,7.1
H,48,0.86,q,7.1
H,49,0.86,q,7.1
H,50,1.58,ddd,"13.3,12.4,7.2"
H,51,1.58,ddd,"12.4,3.8,2.4"
H,52,1.61,m,
H,53,1.61,m,
H,54,2.53,ddd,"13.1,12.4,3.1"
H,55,2.53,ddd,"12.4,3.0,2.4"
H,56,3.29,ddd,"12.4,9.0,1.0"
H,57,3.29,ddd,"12.4,10.4,9.5"
H,58,2.83,ddd,"15.4,10.4,1.0"
H,59,2.83,ddd,"15.4,9.5,9.0"
H,60,7.3,ddd,"7.4,1.4,0.5"
H,61,7.3,ddd,"7.4,6.7,1.4"
H,62,7.2,ddd,"7.0,6.7,1.4"
H,63,7.5,ddd,"7.0,1.4,0.5"
H,64,6.01,dd,"12.3,4.7"
H,65,,,
H,66,2.05,dd,"12.4,4.7"
H,67,2.05,dd,"12.4,12.3"
H,68,4.1,s,
H,69,0.63,t,7.1
H,70,0.63,t,7.1
H,71,0.63,t,7.1
H,72,0.86,q,7.1
H,73,0.86,q,7.1
H,74,1.58,ddd,"13.1,12.4,6.0"
H,75,1.58,ddd,"12.4,4.4,2.3"
H,76,1.61,m,
H,77,1.61,m,
H,78,2.53,ddd,"12.4,10.5,5.4"
H,79,2.53,ddd,"12.4,11.1,3.0"
H,80,3.29,ddd,"13.2,12.4,5.2"
H,81,3.29,ddd,"12.4,4.0,3.2"
H,82,2.83,ddd,"15.4,5.2,3.2"
H,83,2.83,ddd,"15.4,13.2,4.0"
H,84,7.3,ddd,"7.1,1.4,0.5"
H,85,7.3,ddd,"7.4,7.1,1.4"
H,86,7.2,ddd,"7.4,7.0,1.4"
H,87,7.5,ddd,"7.0,1.4,0.5"
H,88,6.01,dd,"6.2,2.7"
H,89,,,
H,90,2.05,dd,"12.4,6.2"
H,91,2.05,dd,"12.4,2.7"
H,92,4.1,s,
