C,1,12.7,s,
C,2,120.3,s,
C,3,136.3,s,
C,4,46.4,s,
N,5,,,
C,6,86.51,s,
O,7,,,
C,8,54.89,s,
C,9,39.63,s,
C,10,58.4,s,
C,11,190.98,s,
N,12,,,
C,13,156.1,s,
C,14,119.93,s,
C,15,128.19,s,
C,16,125.61,s,
C,17,123.47,s,
C,18,138.15,s,
C,19,56.97,s,
C,20,33.62,s,
C,21,32.5,s,
C,22,55.46,s,
C,23,171.68,s,
O,24,,,
O,25,,,
C,26,51.55,s,
H,27,1.65,d,7.0
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,5.45,q,7.0
H,31,3.82,s,
H,32,3.82,s,
H,33,6.07,dd,"5.8,1.6"
H,34,3.32,s,
H,35,3.32,s,
H,36,3.32,s,
H,37,2.05,dd,"12.4,5.8"
H,38,2.05,dd,"12.4,1.6"
H,39,7.61,ddd,"7.1,1.4,0.5"
H,40,7.33,ddd,"7.1,6.5,1.4"
H,41,7.15,ddd,"10.2,6.5,1.4"
H,42,7.41,ddd,"10.2,1.4,0.5"
H,43,4.4,dd,"3.6,2.2"
H,44,2.27,ddd,"12.4,3.6,2.2"
H,45,2.27,ddd,"12.4,3.6,1.8"
H,46,3.69,ddd,"6.2,3.6,1.8"
H,47,2.07,d,6.2
H,48,3.7,s,
H,49,3.7,s,
H,50,3.7,s,
