C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,52.94,s,
N,5,,,
C,6,50.96,s,
C,7,42.57,s,
C,8,52.77,s,
C,9,132.67,s,
C,10,122.57,s,
C,11,123.94,s,
C,12,128.25,s,
C,13,116.16,s,
C,14,141.81,s,
N,15,,,
C,16,170.38,s,
C,17,23.42,s,
O,18,,,
C,19,66.5,s,
C,20,34.9,s,
C,21,64.67,s,
O,22,,,
C,23,42.38,s,
C,24,26.71,s,
C,25,60.23,s,
H,26,1.65,d,7.0
H,27,1.65,d,7.0
H,28,1.65,d,7.0
H,29,5.45,q,7.0
H,30,3.31,s,
H,31,3.31,s,
H,32,3.01,ddd,"9.7,9.4,1.1"
H,33,3.01,ddd,"10.6,9.4,7.4"
H,34,1.85,ddd,"12.4,7.4,1.1"
H,35,1.85,ddd,"12.4,10.6,9.7"
H,36,7.11,ddd,"7.4,1.4,0.5"
H,37,7.04,ddd,"7.4,6.9,1.4"
H,38,7.2,ddd,"9.0,6.9,1.4"
H,39,8.04,ddd,"9.0,1.4,0.5"
H,40,2.28,s,
H,41,2.28,s,
H,42,2.28,s,
H,43,3.54,d,2.3
H,44,2.83,dtd,"9.4,5.8,2.3"
H,45,3.72,d,5.8
H,46,3.72,d,5.8
H,47,,,
H,48,2.99,ddd,"9.4,4.7,3.1"
H,49,1.88,ddd,"12.4,4.7,3.2"
H,50,1.88,ddd,"12.4,3.1,2.9"
H,51,3.91,dd,"3.2,2.9"
