C,1,15.69,s,
C,2,73.3,s,
O,3,,,
C,4,153.07,s,
C,5,132.07,s,
C,6,42.38,s,
C,7,24.51,s,
C,8,64.27,s,
N,9,,,
C,10,51.95,s,
C,11,42.2,s,
C,12,55.7,s,
C,13,135.1,s,
C,14,121.9,s,
C,15,120.7,s,
C,16,128.25,s,
C,17,116.16,s,
C,18,141.81,s,
N,19,,,
C,20,169.64,s,
O,21,,,
C,22,61.2,s,
O,23,,,
C,24,61.0,s,
C,25,53.15,s,
C,26,41.77,s,
H,27,1.4,d,6.1
H,28,1.4,d,6.1
H,29,1.4,d,6.1
H,30,4.13,qd,"6.1,3.6"
H,31,7.79,s,
H,32,2.99,ddd,"4.5,1.2,0.9"
H,33,2.11,ddd,"12.4,4.1,1.2"
H,34,2.11,ddd,"12.4,4.5,0.9"
H,35,3.78,dd,"4.1,0.9"
H,36,3.04,ddd,"9.4,7.2,0.7"
H,37,3.04,ddd,"13.0,9.4,6.8"
H,38,2.18,ddd,"13.0,12.4,7.2"
H,39,2.18,ddd,"12.4,6.8,0.7"
H,40,7.25,ddd,"7.4,1.4,0.5"
H,41,6.94,ddd,"7.4,6.7,1.4"
H,42,7.2,ddd,"9.3,6.7,1.4"
H,43,8.04,ddd,"9.3,1.4,0.5"
H,44,4.1,s,
H,45,4.1,s,
H,46,,,
H,47,4.25,s,
H,48,2.78,dd,"12.4,8.7"
H,49,2.78,dd,"12.4,8.5"
H,50,1.81,m,
