C,1,18.35,s,
C,2,32.4,s,
C,3,18.35,s,
C,4,66.5,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,57.53,s,
C,9,32.8,s,
C,10,110.16,s,
C,11,123.99,s,
N,12,,,
C,13,136.38,s,
C,14,111.5,s,
C,15,121.51,s,
C,16,119.23,s,
C,17,118.5,s,
C,18,127.47,s,
N,19,,,
C,20,162.36,s,
O,21,,,
C,22,57.53,s,
C,23,32.8,s,
C,24,110.16,s,
C,25,123.99,s,
N,26,,,
C,27,136.38,s,
C,28,111.5,s,
C,29,121.51,s,
C,30,119.23,s,
C,31,118.5,s,
C,32,127.47,s,
N,33,,,
C,34,162.36,s,
O,35,,,
C,36,57.53,s,
N,37,,,
C,38,37.35,s,
C,39,176.09,s,
O,40,,,
O,41,,,
C,42,174.5,s,
O,43,,,
O,44,,,
H,45,0.88,d,6.4
H,46,0.88,d,6.4
H,47,0.88,d,6.4
H,48,2.09,m,"6.4,5.4"
H,49,0.88,d,6.4
H,50,0.88,d,6.4
H,51,0.88,d,6.4
H,52,4.28,d,5.4
H,53,,,
H,54,4.28,t,6.3
H,55,3.5,d,6.3
H,56,3.5,d,6.3
H,57,7.11,d,0.5
H,58,,,
H,59,7.34,ddd,"7.2,1.4,0.5"
H,60,7.14,ddd,"7.6,7.2,1.4"
H,61,7.01,ddd,"7.6,7.4,1.4"
H,62,7.57,ddt,"7.4,1.4,0.5"
H,63,,,
H,64,4.28,t,6.3
H,65,3.5,d,6.3
H,66,3.5,d,6.3
H,67,7.11,d,0.5
H,68,,,
H,69,7.34,ddd,"7.4,1.4,0.5"
H,70,7.14,ddd,"7.4,7.2,1.4"
H,71,7.01,ddd,"8.0,7.2,1.4"
H,72,7.57,ddt,"8.0,1.4,0.5"
H,73,,,
H,74,4.28,t,6.4
H,75,,,
H,76,,,
H,77,2.79,d,6.4
H,78,2.79,d,6.4
H,79,,,
H,80,,,
