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,12,142.9,s,
C,13,98.53,s,
C,14,156.61,s,
O,15,,,
C,16,55.99,s,
C,17,146.32,s,
O,18,,,
C,19,56.5,s,
C,20,105.56,s,
C,21,134.28,s,
C,22,56.37,s,
C,23,46.0,s,
C,24,50.9,s,
N,25,,,
C,26,55.9,s,
C,27,56.45,s,
O,28,,,
C,29,62.39,s,
C,30,71.28,s,
H,31,0.68,t,7.1
H,32,0.68,t,7.1
H,33,0.68,t,7.1
H,34,1.13,q,7.1
H,35,1.13,q,7.1
H,36,2.81,s,
H,37,2.81,s,
H,38,3.75,s,
H,39,3.75,s,
H,40,3.75,s,
H,41,,,
H,42,7.53,d,0.5
H,43,3.89,s,
H,44,3.89,s,
H,45,3.89,s,
H,46,3.8,s,
H,47,3.8,s,
H,48,3.8,s,
H,49,6.69,d,0.5
H,50,1.62,ddd,"12.4,10.9,2.6"
H,51,1.62,ddd,"12.4,11.4,6.7"
H,52,2.93,ddd,"11.4,9.4,2.6"
H,53,2.93,ddd,"10.9,9.4,6.7"
H,54,3.69,dd,"12.4,6.6"
H,55,3.69,d,12.4
H,56,4.52,dd,"6.8,6.6"
H,57,3.08,d,6.8
H,58,2.67,s,
