C,1,14.38,s,
C,2,129.85,s,
C,3,147.5,s,
C,4,40.4,s,
C,5,105.26,s,
C,6,166.58,s,
O,7,,,
O,8,,,
C,9,51.57,s,
C,10,167.8,s,
N,11,,,
C,12,144.53,s,
C,13,110.57,s,
C,14,128.5,s,
C,15,121.8,s,
C,16,121.9,s,
C,17,138.17,s,
C,18,57.5,s,
C,19,46.0,s,
C,20,51.95,s,
N,21,,,
C,22,61.8,s,
C,23,70.18,s,
O,24,,,
C,25,61.0,s,
H,26,1.83,d,7.0
H,27,1.83,d,7.0
H,28,1.83,d,7.0
H,29,6.26,q,7.0
H,30,2.83,d,8.9
H,31,3.61,s,
H,32,3.61,s,
H,33,3.61,s,
H,34,,,
H,35,6.85,ddd,"7.5,1.4,0.5"
H,36,7.13,ddd,"7.8,7.5,1.4"
H,37,6.86,ddd,"7.8,7.7,1.4"
H,38,7.22,ddd,"7.7,1.4,0.5"
H,39,1.78,ddd,"12.4,7.2,0.8"
H,40,1.78,ddd,"12.4,11.8,7.9"
H,41,3.04,ddd,"11.8,9.4,7.2"
H,42,3.04,ddd,"9.4,7.9,0.8"
H,43,3.69,dd,"12.4,1.5"
H,44,3.69,dd,"12.4,7.1"
H,45,3.79,ddd,"8.9,7.1,1.5"
H,46,,,
H,47,4.25,s,
