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,22,69.52,s,
C,23,20.56,s,
O,24,,,
C,25,61.05,s,
H,26,3.61,s,
H,27,3.61,s,
H,28,3.61,s,
H,29,,,
H,30,6.85,ddd,"8.5,1.4,0.5"
H,31,7.13,ddd,"8.5,8.4,1.4"
H,32,6.86,ddd,"8.4,7.3,1.4"
H,33,7.22,ddd,"7.3,1.4,0.5"
H,34,1.78,ddd,"12.4,7.0,1.8"
H,35,1.78,ddd,"12.4,11.6,8.7"
H,36,3.04,ddd,"9.4,8.7,1.8"
H,37,3.04,ddd,"11.6,9.4,7.0"
H,38,3.34,ddd,"12.4,8.1,1.6"
H,39,3.34,ddd,"12.4,10.5,8.3"
H,40,1.8,m,
H,41,1.8,m,
H,42,3.09,ddd,"5.4,3.1,1.1"
H,43,1.24,ddd,"5.1,3.1,1.8"
H,44,3.98,qd,"6.1,5.1"
H,45,1.2,d,6.1
H,46,1.2,d,6.1
H,47,1.2,d,6.1
H,48,,,
H,49,3.54,d,1.8
