C,1,56.85,s,
O,2,,,
C,3,143.0,s,
C,4,113.1,s,
C,5,137.35,s,
C,6,126.45,s,
C,7,140.9,s,
C,8,130.1,s,
C,9,130.1,s,
C,10,140.9,s,
C,11,126.45,s,
C,12,137.35,s,
C,13,113.1,s,
C,14,143.0,s,
O,15,,,
C,16,56.85,s,
C,17,145.19,s,
O,18,,,
C,19,61.35,s,
C,20,123.18,s,
C,21,129.46,s,
C,22,123.43,s,
C,23,125.77,s,
C,24,127.89,s,
C,25,122.87,s,
C,26,130.59,s,
C,27,29.7,s,
C,28,49.76,s,
N,29,,,
C,30,39.53,s,
C,31,130.59,s,
C,32,122.87,s,
C,33,127.89,s,
C,34,125.77,s,
C,35,123.43,s,
C,36,129.46,s,
C,37,123.18,s,
C,38,145.19,s,
O,39,,,
C,40,61.35,s,
N,41,,,
C,42,39.53,s,
C,43,49.76,s,
C,44,29.7,s,
H,45,3.85,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,6.97,s,
H,49,6.97,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,3.89,s,
H,54,3.89,s,
H,55,3.89,s,
H,56,8.92,ddd,"9.3,1.4,0.5"
H,57,7.53,ddd,"9.3,8.2,1.4"
H,58,7.57,ddd,"8.2,6.7,1.4"
H,59,8.8,ddd,"6.7,1.4,0.5"
H,60,3.26,ddd,"15.4,12.5,6.3"
H,61,3.26,ddd,"15.4,4.1,1.6"
H,62,3.34,ddd,"12.4,6.3,1.6"
H,63,3.34,ddd,"12.5,12.4,4.1"
H,64,3.21,s,
H,65,3.21,s,
H,66,3.21,s,
H,67,8.8,ddd,"8.6,1.4,0.5"
H,68,7.57,ddd,"8.6,7.5,1.4"
H,69,7.53,ddd,"9.6,7.5,1.4"
H,70,8.92,ddd,"9.6,1.4,0.5"
H,71,3.89,s,
H,72,3.89,s,
H,73,3.89,s,
H,74,3.21,s,
H,75,3.21,s,
H,76,3.21,s,
H,77,3.34,ddd,"12.6,12.4,4.1"
H,78,3.34,ddd,"12.4,6.7,1.6"
H,79,3.26,ddd,"15.4,4.1,1.6"
H,80,3.26,ddd,"15.4,12.6,6.7"
