C,1,61.1,s,
O,2,,,
C,3,156.3,s,
C,4,126.85,s,
C,5,9.4,s,
C,6,186.96,s,
O,7,,,
C,8,123.8,s,
C,9,123.8,s,
C,10,180.2,s,
O,11,,,
C,12,48.83,s,
C,13,69.15,s,
O,14,,,
C,15,86.56,s,
C,16,57.53,s,
C,17,36.24,s,
C,18,40.4,s,
C,19,59.8,s,
N,20,,,
C,21,57.53,s,
C,22,57.53,s,
N,23,,,
C,24,49.3,s,
C,25,66.36,s,
O,26,,,
C,27,94.36,s,
N,28,,,
H,29,4.03,s,
H,30,4.03,s,
H,31,4.03,s,
H,32,1.98,s,
H,33,1.98,s,
H,34,1.98,s,
H,35,5.14,dd,"10.0,8.7"
H,36,3.82,dd,"10.0,6.4"
H,37,3.82,dd,"8.7,6.4"
H,38,5.98,d,5.7
H,39,4.28,ddd,"7.6,5.7,0.7"
H,40,1.87,ddd,"12.4,5.6,0.7"
H,41,1.87,ddd,"12.4,10.9,7.6"
H,42,2.83,m,
H,43,3.9,dd,"6.6,4.8"
H,44,,,
H,45,4.28,dd,"5.8,4.8"
H,46,4.28,d,5.8
H,47,3.28,ddd,"10.9,9.3,5.4"
H,48,3.28,ddd,"7.3,5.4,1.3"
H,49,3.81,ddd,"10.9,7.3,6.4"
H,50,3.81,ddd,"9.3,6.4,1.3"
H,51,6.04,d,3.2
