C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,52.94,s,
N,5,,,
C,6,51.09,s,
C,7,42.03,s,
C,8,52.77,s,
C,9,132.82,s,
C,10,122.47,s,
C,11,123.27,s,
C,12,128.4,s,
C,13,111.2,s,
C,14,149.2,s,
N,15,,,
C,16,61.05,s,
C,17,52.3,s,
C,18,32.9,s,
C,19,26.3,s,
C,20,60.23,s,
C,21,94.36,s,
O,22,,,
C,23,94.36,s,
C,24,52.3,s,
C,25,61.05,s,
N,26,,,
C,27,149.2,s,
C,28,111.2,s,
C,29,128.4,s,
C,30,123.27,s,
C,31,122.47,s,
C,32,132.82,s,
C,33,52.77,s,
C,34,42.03,s,
C,35,51.09,s,
N,36,,,
C,37,51.67,s,
C,38,132.07,s,
C,39,171.1,s,
O,40,,,
C,41,42.38,s,
C,42,26.71,s,
C,43,60.23,s,
H,44,1.65,d,7.0
H,45,1.65,d,7.0
H,46,1.65,d,7.0
H,47,5.45,q,7.0
H,48,3.31,s,
H,49,3.31,s,
H,50,3.01,ddd,"10.9,9.4,3.2"
H,51,3.01,ddd,"10.6,9.4,7.8"
H,52,1.85,ddd,"12.4,10.9,7.8"
H,53,1.85,ddd,"12.4,10.6,3.2"
H,54,7.11,ddd,"6.7,1.4,0.5"
H,55,7.04,ddd,"9.4,6.7,1.4"
H,56,7.43,ddd,"9.4,7.1,1.4"
H,57,7.32,ddd,"7.1,1.4,0.5"
H,58,3.54,d,7.5
H,59,2.83,ddd,"8.6,7.5,2.7"
H,60,2.99,ddd,"4.8,2.7,1.6"
H,61,1.88,ddd,"12.4,4.8,2.6"
H,62,1.88,ddd,"12.4,3.8,1.6"
H,63,3.91,dd,"3.8,2.6"
H,64,6.04,d,8.6
H,65,6.04,d,8.6
H,66,2.83,ddd,"8.6,7.7,2.8"
H,67,3.54,d,7.7
H,68,7.32,ddd,"7.5,1.4,0.5"
H,69,7.43,ddd,"7.8,7.5,1.4"
H,70,7.04,ddd,"7.8,7.4,1.4"
H,71,7.11,ddd,"7.4,1.4,0.5"
H,72,1.85,ddd,"12.4,11.3,7.2"
H,73,1.85,ddd,"12.4,11.1,3.9"
H,74,3.01,ddd,"11.1,9.4,7.2"
H,75,3.01,ddd,"11.3,9.4,3.9"
H,76,3.82,s,
H,77,3.82,s,
H,78,8.19,s,
H,79,,,
H,80,2.99,ddd,"6.0,2.8,1.9"
H,81,1.88,ddd,"12.4,2.9,1.9"
H,82,1.88,ddd,"12.4,6.0,3.2"
H,83,3.91,dd,"3.2,2.9"
