C,1,55.45,s,
O,2,,,
C,3,146.35,s,
C,4,110.47,s,
C,5,133.4,s,
C,6,123.2,s,
C,7,106.86,s,
C,8,147.0,s,
O,9,,,
C,10,145.43,s,
C,11,127.6,s,
C,12,138.21,s,
C,13,110.47,s,
C,14,153.49,s,
O,15,,,
C,16,56.23,s,
C,17,139.54,s,
O,18,,,
C,19,60.99,s,
C,20,28.2,s,
C,21,52.55,s,
N,22,,,
C,23,45.66,s,
C,24,53.95,s,
C,25,164.7,s,
O,26,,,
N,27,,,
C,28,34.8,s,
C,29,47.8,s,
C,30,27.6,s,
H,31,3.8,s,
H,32,3.8,s,
H,33,3.8,s,
H,34,6.68,d,0.5
H,35,7.87,d,0.5
H,36,6.68,s,
H,37,3.87,s,
H,38,3.87,s,
H,39,3.87,s,
H,40,3.81,s,
H,41,3.81,s,
H,42,3.81,s,
H,43,2.85,ddd,"15.4,8.3,1.1"
H,44,2.85,ddd,"15.4,10.0,9.1"
H,45,3.34,ddd,"12.4,9.1,1.1"
H,46,3.34,ddd,"12.4,10.0,8.3"
H,47,2.4,s,
H,48,2.4,s,
H,49,2.4,s,
H,50,4.25,s,
H,51,4.25,s,
H,52,2.86,s,
H,53,2.86,s,
H,54,2.86,s,
H,55,3.34,ddd,"12.4,10.9,7.4"
H,56,3.34,ddd,"12.4,8.2,1.0"
H,57,2.85,ddd,"15.4,7.4,1.0"
H,58,2.85,ddd,"15.4,10.9,8.2"
