C,1,19.8,s,
C,2,57.53,s,
C,3,86.56,s,
O,4,,,
C,5,86.56,s,
C,6,57.53,s,
C,7,19.8,s,
N,8,,,
C,9,173.25,s,
O,10,,,
C,11,77.48,s,
C,12,25.81,s,
O,13,,,
C,14,64.86,s,
C,15,132.06,s,
C,16,127.05,s,
C,17,123.88,s,
C,18,148.05,s,
N,19,,,
O,20,,,
O,21,,,
C,22,123.88,s,
C,23,127.05,s,
N,24,,,
C,25,173.25,s,
O,26,,,
C,27,77.48,s,
C,28,25.81,s,
O,29,,,
C,30,64.86,s,
C,31,132.06,s,
C,32,127.05,s,
C,33,123.88,s,
C,34,148.05,s,
N,35,,,
O,36,,,
O,37,,,
C,38,123.88,s,
C,39,127.05,s,
H,40,1.29,d,6.7
H,41,1.29,d,6.7
H,42,1.29,d,6.7
H,43,4.28,q,6.7
H,44,5.98,s,
H,45,5.98,d,8.7
H,46,4.28,dq,"8.7,6.7"
H,47,1.29,d,6.7
H,48,1.29,d,6.7
H,49,1.29,d,6.7
H,50,1.4,s,
H,51,1.4,s,
H,52,1.4,s,
H,53,4.16,s,
H,54,7.61,ddd,"7.2,1.9,0.5"
H,55,8.14,ddd,"7.2,2.4,0.5"
H,56,8.14,ddd,"7.3,2.4,0.5"
H,57,7.61,ddd,"7.3,1.9,0.5"
H,58,1.4,s,
H,59,1.4,s,
H,60,1.4,s,
H,61,4.16,s,
H,62,7.61,ddd,"8.3,1.9,0.5"
H,63,8.14,ddd,"8.3,2.4,0.5"
H,64,8.14,ddd,"8.0,2.4,0.5"
H,65,7.61,ddd,"8.0,1.9,0.5"
