C,1,52.57,s,
O,2,,,
C,3,155.27,s,
O,4,,,
N,5,,,
C,6,49.76,s,
C,7,28.2,s,
C,8,127.53,s,
C,9,110.77,s,
C,10,151.4,s,
O,11,,,
C,12,55.67,s,
C,13,144.6,s,
O,14,,,
C,15,59.75,s,
C,16,126.3,s,
C,17,125.36,s,
C,18,60.72,s,
C,19,36.04,s,
C,20,135.9,s,
C,21,127.7,s,
C,22,126.7,s,
C,23,126.4,s,
C,24,127.3,s,
C,25,131.6,s,
H,26,3.66,s,
H,27,3.66,s,
H,28,3.66,s,
H,29,3.34,ddd,"12.4,7.6,1.4"
H,30,3.34,ddd,"12.4,12.2,7.4"
H,31,2.85,ddd,"15.4,7.4,1.4"
H,32,2.85,ddd,"15.4,12.2,7.6"
H,33,6.73,s,
H,34,3.81,s,
H,35,3.81,s,
H,36,3.81,s,
H,37,3.78,s,
H,38,3.78,s,
H,39,3.78,s,
H,40,4.39,dd,"13.1,5.5"
H,41,2.9,dd,"15.4,5.5"
H,42,2.9,dd,"15.4,13.1"
H,43,7.3,ddd,"6.9,1.4,0.5"
H,44,7.3,ddd,"6.9,6.7,1.4"
H,45,7.39,ddd,"10.5,6.7,1.4"
H,46,7.67,ddd,"10.5,1.4,0.5"
