C,1,113.66,s,
C,2,143.93,s,
C,3,41.72,s,
C,4,23.34,s,
C,5,23.34,s,
C,6,41.86,s,
C,7,113.19,s,
C,8,146.49,s,
O,9,,,
C,10,55.92,s,
C,11,162.16,s,
O,12,,,
N,13,,,
C,14,57.53,s,
C,15,19.8,s,
C,16,162.36,s,
O,17,,,
N,18,,,
C,19,,,
N,20,,,
O,21,,,
C,22,139.75,s,
C,23,114.42,s,
C,24,128.15,s,
C,25,122.44,s,
C,26,124.58,s,
C,27,134.28,s,
H,28,5.16,dd,"12.0,2.5"
H,29,5.16,dd,"16.0,2.5"
H,30,5.97,dd,"16.0,12.0"
H,31,1.1,s,
H,32,1.1,s,
H,33,1.1,s,
H,34,1.1,s,
H,35,1.1,s,
H,36,1.1,s,
H,37,6.25,s,
H,38,3.8,s,
H,39,3.8,s,
H,40,3.8,s,
H,41,4.28,q,6.8
H,42,1.29,d,6.8
H,43,1.29,d,6.8
H,44,1.29,d,6.8
H,45,,,
H,46,,,
H,47,7.14,ddd,"6.9,1.4,0.5"
H,48,7.23,ddd,"9.1,6.9,1.4"
H,49,6.94,ddd,"9.2,9.1,1.4"
H,50,7.25,ddd,"9.2,1.4,0.5"
