C,1,38.98,s,
N,2,,,
C,3,162.36,s,
O,4,,,
C,5,57.53,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,41.86,s,
C,10,23.79,s,
C,11,114.96,s,
C,12,123.36,s,
N,13,,,
C,14,137.24,s,
C,15,111.64,s,
C,16,122.28,s,
C,17,119.8,s,
C,18,121.52,s,
C,19,126.32,s,
C,20,114.96,s,
C,21,123.36,s,
N,22,,,
C,23,137.24,s,
C,24,111.64,s,
C,25,122.28,s,
C,26,119.8,s,
C,27,121.52,s,
C,28,126.32,s,
C,29,194.75,s,
O,30,,,
C,31,115.46,s,
C,32,136.47,s,
N,33,,,
C,34,136.35,s,
C,35,112.36,s,
C,36,122.55,s,
C,37,122.05,s,
C,38,122.67,s,
C,39,126.56,s,
H,40,3.15,s,
H,41,3.15,s,
H,42,3.15,s,
H,43,,,
H,44,4.28,s,
H,45,,,
H,46,1.13,s,
H,47,1.13,s,
H,48,1.13,s,
H,49,7.51,d,0.5
H,50,,,
H,51,7.38,ddd,"7.6,1.4,0.5"
H,52,7.14,ddd,"8.1,7.6,1.4"
H,53,7.15,ddd,"8.1,7.4,1.4"
H,54,8.02,ddt,"7.4,1.4,0.5"
H,55,7.51,d,0.5
H,56,,,
H,57,7.38,ddd,"7.3,1.4,0.5"
H,58,7.14,td,"7.3,1.4"
H,59,7.15,ddd,"10.0,7.3,1.4"
H,60,8.02,ddt,"10.0,1.4,0.5"
H,61,8.22,d,0.5
H,62,,,
H,63,7.42,ddd,"7.3,1.4,0.5"
H,64,7.14,ddd,"7.3,6.6,1.4"
H,65,7.02,ddd,"8.6,6.6,1.4"
H,66,8.41,ddt,"8.6,1.4,0.5"
