C,1,28.33,s,
C,2,53.2,s,
C,3,28.33,s,
N,4,,,
C,5,64.94,s,
C,6,196.41,s,
O,7,,,
C,8,109.51,s,
C,9,140.19,s,
N,10,,,
C,11,136.33,s,
C,12,111.1,s,
C,13,122.04,s,
C,14,122.24,s,
C,15,121.9,s,
C,16,124.9,s,
C,17,41.86,s,
C,18,23.79,s,
C,19,42.83,s,
C,20,71.11,s,
O,21,,,
C,22,51.46,s,
C,23,33.16,s,
C,24,42.9,s,
H,25,1.2,s,
H,26,1.2,s,
H,27,1.2,s,
H,28,1.2,s,
H,29,1.2,s,
H,30,1.2,s,
H,31,,,
H,32,4.28,d,7.3
H,33,,,
H,34,7.35,ddd,"7.5,1.4,0.5"
H,35,7.18,ddd,"7.9,7.5,1.4"
H,36,7.44,ddd,"7.9,6.9,1.4"
H,37,7.64,ddd,"6.9,1.4,0.5"
H,38,1.13,s,
H,39,1.13,s,
H,40,1.13,s,
H,41,2.1,dd,"12.4,1.0"
H,42,2.1,dd,"12.4,7.3"
H,43,4.19,ddd,"7.3,1.3,1.0"
H,44,,,
H,45,2.93,ddd,"3.6,2.9,1.3"
H,46,1.83,ddd,"12.4,3.1,2.9"
H,47,1.83,ddd,"12.4,3.6,2.9"
H,48,1.94,ddd,"7.3,3.1,2.9"
