C,1,51.57,s,
O,2,,,
C,3,166.58,s,
O,4,,,
C,5,105.26,s,
C,6,167.8,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,57.5,s,
C,15,46.0,s,
C,16,51.95,s,
N,17,,,
C,18,51.96,s,
C,19,27.0,s,
C,20,33.48,s,
C,21,47.72,s,
C,22,77.38,s,
C,23,18.29,s,
O,24,,,
C,25,56.5,s,
C,26,61.05,s,
H,27,3.61,s,
H,28,3.61,s,
H,29,3.61,s,
H,30,,,
H,31,6.85,ddd,"6.9,1.4,0.5"
H,32,7.13,ddd,"8.9,6.9,1.4"
H,33,6.86,ddd,"8.9,6.2,1.4"
H,34,7.22,ddd,"6.2,1.4,0.5"
H,35,1.78,ddd,"12.4,6.0,1.3"
H,36,1.78,ddd,"12.4,12.1,7.3"
H,37,3.04,ddd,"9.4,7.3,1.3"
H,38,3.04,ddd,"12.1,9.4,6.0"
H,39,3.34,ddd,"12.4,10.2,6.7"
H,40,3.34,ddd,"12.4,10.6,1.8"
H,41,1.8,m,
H,42,1.8,m,
H,43,3.09,ddd,"10.4,2.2,1.3"
H,44,1.24,ddd,"5.1,2.5,2.2"
H,45,4.58,qd,"6.1,5.1"
H,46,1.37,d,6.1
H,47,1.37,d,6.1
H,48,1.37,d,6.1
H,49,3.42,s,
H,50,3.42,s,
H,51,3.42,s,
H,52,3.54,d,2.5
