C,1,45.0,s,
N,2,,,
C,3,45.0,s,
C,4,60.5,s,
C,5,127.63,s,
C,6,128.23,s,
C,7,145.58,s,
C,8,37.92,s,
C,9,31.65,s,
C,10,31.65,s,
C,11,57.01,s,
C,12,32.27,s,
C,13,31.77,s,
C,14,31.77,s,
C,15,31.77,s,
C,16,131.63,s,
C,17,109.92,s,
Br,18,,,
C,19,153.88,s,
O,20,,,
H,21,2.23,s,
H,22,2.23,s,
H,23,2.23,s,
H,24,2.23,s,
H,25,2.23,s,
H,26,2.23,s,
H,27,3.6,s,
H,28,3.6,s,
H,29,7.06,d,1.9
H,30,1.33,s,
H,31,1.33,s,
H,32,1.33,s,
H,33,1.33,s,
H,34,1.33,s,
H,35,1.33,s,
H,36,1.69,s,
H,37,1.69,s,
H,38,0.69,s,
H,39,0.69,s,
H,40,0.69,s,
H,41,0.69,s,
H,42,0.69,s,
H,43,0.69,s,
H,44,0.69,s,
H,45,0.69,s,
H,46,0.69,s,
H,47,7.6,d,1.9
H,48,,,
