C,1,52.63,s,
O,2,,,
C,3,166.9,s,
O,4,,,
C,5,131.5,s,
C,6,132.9,s,
C,7,129.6,s,
C,8,134.3,s,
C,9,143.1,s,
N,10,,,
C,11,142.82,s,
C,12,130.1,s,
C,13,40.59,s,
C,14,21.56,s,
C,15,130.1,s,
C,16,127.92,s,
C,17,127.92,s,
C,18,131.27,s,
C,19,167.1,s,
O,20,,,
O,21,,,
C,22,52.63,s,
C,23,142.82,s,
N,24,,,
C,25,141.38,s,
C,26,130.37,s,
C,27,130.8,s,
C,28,130.8,s,
C,29,130.37,s,
C,30,141.38,s,
N,31,,,
C,32,142.82,s,
C,33,127.92,s,
C,34,126.02,s,
C,35,131.0,s,
C,36,143.0,s,
N,37,,,
C,38,140.0,s,
H,39,3.87,s,
H,40,3.87,s,
H,41,3.87,s,
H,42,8.03,dd,"8.5,1.4"
H,43,7.22,dd,"8.5,7.0"
H,44,7.78,dd,"7.0,1.4"
H,45,4.48,q,6.8
H,46,1.7,d,6.8
H,47,1.7,d,6.8
H,48,1.7,d,6.8
H,49,7.56,s,
H,50,7.56,s,
H,51,3.87,s,
H,52,3.87,s,
H,53,3.87,s,
H,54,7.78,ddd,"6.8,1.4,0.5"
H,55,7.48,ddd,"7.4,6.8,1.4"
H,56,7.48,ddd,"8.5,7.4,1.4"
H,57,7.78,ddd,"8.5,1.4,0.5"
H,58,7.56,dd,"5.8,1.4"
H,59,7.22,dd,"6.7,5.8"
H,60,7.78,dd,"6.7,1.4"
