C,1,53.1,s,
O,2,,,
C,3,153.4,s,
O,4,,,
N,5,,,
C,6,142.35,s,
C,7,116.11,s,
C,8,131.17,s,
C,9,122.35,s,
C,10,123.64,s,
C,11,130.97,s,
C,12,77.48,s,
C,13,35.55,s,
C,14,49.76,s,
N,15,,,
C,16,50.97,s,
C,17,127.92,s,
C,18,139.18,s,
C,19,61.74,s,
C,20,34.93,s,
C,21,34.93,s,
C,22,61.74,s,
C,23,46.85,s,
C,24,42.19,s,
C,25,172.96,s,
O,26,,,
O,27,,,
H,28,3.74,s,
H,29,3.74,s,
H,30,3.74,s,
H,31,7.32,ddd,"7.2,1.4,0.5"
H,32,7.43,ddd,"7.2,7.1,1.4"
H,33,6.87,ddd,"8.8,7.1,1.4"
H,34,7.48,ddd,"8.8,1.4,0.5"
H,35,1.7,ddd,"12.4,12.3,1.0"
H,36,1.7,ddd,"12.4,7.5,2.0"
H,37,3.34,ddd,"12.4,12.3,2.0"
H,38,3.34,ddd,"12.4,7.5,1.0"
H,39,4.04,dd,"9.4,2.9"
H,40,4.04,dd,"9.4,4.2"
H,41,5.89,ddd,"7.9,4.2,2.9"
H,42,6.45,d,7.9
H,43,1.99,ddd,"12.4,12.0,2.7"
H,44,1.99,ddd,"12.4,11.3,3.8"
H,45,1.99,ddd,"12.4,12.0,3.8"
H,46,1.99,ddd,"12.4,11.3,2.7"
H,47,4.09,dd,"10.2,1.2"
H,48,2.02,dd,"12.4,10.2"
H,49,2.02,dd,"12.4,1.2"
