C,1,51.95,s,
O,2,,,
C,3,166.77,s,
O,4,,,
C,5,132.07,s,
C,6,167.21,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,56.37,s,
C,15,46.0,s,
C,16,50.9,s,
N,17,,,
C,18,55.9,s,
C,19,74.82,s,
C,20,42.83,s,
C,21,41.86,s,
C,22,74.43,s,
C,23,18.01,s,
O,24,,,
C,25,79.19,s,
O,26,,,
C,27,71.28,s,
H,28,3.73,s,
H,29,3.73,s,
H,30,3.73,s,
H,31,,,
H,32,6.85,ddd,"7.3,1.4,0.5"
H,33,7.13,ddd,"8.7,7.3,1.4"
H,34,6.86,ddd,"8.7,7.5,1.4"
H,35,7.22,ddd,"7.5,1.4,0.5"
H,36,1.62,ddd,"12.4,11.1,7.5"
H,37,1.62,ddd,"12.4,8.3,1.6"
H,38,2.93,ddd,"11.1,9.4,8.3"
H,39,2.93,ddd,"9.4,7.5,1.6"
H,40,3.69,dd,"12.4,2.6"
H,41,3.69,dd,"12.4,2.6"
H,42,5.15,dtd,"5.9,2.6,0.3"
H,43,2.1,dd,"12.4,5.9"
H,44,2.1,dd,"12.4,0.3"
H,45,4.52,q,6.2
H,46,1.11,d,6.2
H,47,1.11,d,6.2
H,48,1.11,d,6.2
H,49,,,
H,50,5.11,s,
H,51,2.67,s,
