C,1,8.66,s,
C,2,29.54,s,
C,3,41.86,s,
C,4,42.24,s,
C,5,92.77,s,
C,6,168.57,s,
O,7,,,
O,8,,,
C,9,51.23,s,
C,10,167.77,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,18,56.37,s,
C,19,46.0,s,
C,20,50.9,s,
N,21,,,
C,22,55.9,s,
C,23,56.45,s,
O,24,,,
C,25,62.39,s,
C,26,71.28,s,
H,27,0.68,t,7.1
H,28,0.68,t,7.1
H,29,0.68,t,7.1
H,30,1.13,q,7.1
H,31,1.13,q,7.1
H,32,2.81,s,
H,33,2.81,s,
H,34,3.75,s,
H,35,3.75,s,
H,36,3.75,s,
H,37,,,
H,38,6.85,ddd,"7.6,1.4,0.5"
H,39,7.13,ddd,"7.6,7.5,1.4"
H,40,6.86,ddd,"7.5,6.6,1.4"
H,41,7.22,ddd,"6.6,1.4,0.5"
H,42,1.62,ddd,"12.4,11.4,7.2"
H,43,1.62,ddd,"12.4,10.1,1.5"
H,44,2.93,ddd,"11.4,9.4,1.5"
H,45,2.93,ddd,"10.1,9.4,7.2"
H,46,3.69,dd,"12.4,2.6"
H,47,3.69,dd,"12.4,1.4"
H,48,4.52,ddd,"6.1,2.6,1.4"
H,49,3.08,d,6.1
H,50,2.67,s,
