C,1,52.32,s,
O,2,,,
C,3,171.36,s,
O,4,,,
C,5,66.5,s,
N,6,,,
C,7,157.99,s,
C,8,153.68,s,
C,9,119.28,s,
C,10,135.42,s,
C,11,128.61,s,
C,12,146.37,s,
N,13,,,
C,14,179.78,s,
O,15,,,
C,16,150.51,s,
N,17,,,
C,18,102.19,s,
C,19,180.4,s,
O,20,,,
C,21,126.1,s,
N,22,,,
C,23,136.33,s,
C,24,111.1,s,
C,25,122.04,s,
C,26,119.1,s,
C,27,119.2,s,
C,28,128.5,s,
C,29,130.1,s,
C,30,40.4,s,
C,31,18.87,s,
H,32,3.68,s,
H,33,3.68,s,
H,34,3.68,s,
H,35,4.28,d,5.6
H,36,7.31,d,7.3
H,37,8.29,d,7.3
H,38,,,
H,39,,,
H,40,5.64,s,
H,41,,,
H,42,7.35,ddd,"6.4,1.4,0.5"
H,43,7.18,ddd,"8.0,6.4,1.4"
H,44,7.15,ddd,"8.0,7.4,1.4"
H,45,8.02,ddd,"7.4,1.4,0.5"
H,46,2.83,qd,"6.7,5.6"
H,47,1.03,d,6.7
H,48,1.03,d,6.7
H,49,1.03,d,6.7
