C,1,53.1,s,
O,2,,,
C,3,153.4,s,
O,4,,,
N,5,,,
C,6,142.35,s,
C,7,106.46,s,
C,8,149.21,s,
N,9,,,
C,10,142.35,s,
C,11,116.11,s,
C,12,131.17,s,
C,13,122.44,s,
C,14,124.58,s,
C,15,134.28,s,
C,16,41.86,s,
C,17,38.94,s,
C,18,51.33,s,
N,19,,,
C,20,50.96,s,
C,21,124.8,s,
C,22,144.6,s,
C,23,41.86,s,
C,24,35.28,s,
C,25,35.28,s,
C,26,41.86,s,
C,27,174.33,s,
O,28,,,
O,29,,,
C,30,52.29,s,
C,31,30.5,s,
C,32,92.26,s,
O,33,,,
C,34,71.28,s,
C,35,112.82,s,
C,36,127.92,s,
C,37,130.97,s,
C,38,77.48,s,
C,39,35.55,s,
C,40,49.76,s,
N,41,,,
C,42,50.97,s,
C,43,127.92,s,
C,44,139.18,s,
C,45,61.74,s,
C,46,34.93,s,
C,47,34.93,s,
C,48,61.74,s,
C,49,46.85,s,
C,50,42.19,s,
C,51,172.96,s,
O,52,,,
O,53,,,
H,54,3.74,s,
H,55,3.74,s,
H,56,3.74,s,
H,57,7.28,dd,"2.4,0.5"
H,58,7.32,ddd,"8.3,1.4,0.5"
H,59,7.43,ddd,"8.3,6.9,1.4"
H,60,6.94,ddd,"8.9,6.9,1.4"
H,61,7.25,ddd,"8.9,1.4,0.5"
H,62,2.18,ddd,"12.4,9.2,2.2"
H,63,2.18,ddd,"12.4,10.5,8.3"
H,64,3.11,ddd,"10.5,9.4,2.2"
H,65,3.11,ddd,"9.4,9.2,8.3"
H,66,4.04,dd,"15.4,4.2"
H,67,4.04,dd,"15.4,3.4"
H,68,5.59,ddd,"10.1,4.2,3.4"
H,69,6.3,d,10.1
H,70,1.72,ddd,"12.4,10.7,8.0"
H,71,1.72,ddd,"12.4,11.0,0.9"
H,72,1.72,ddd,"12.4,11.0,10.7"
H,73,1.72,ddd,"12.4,8.0,0.9"
H,74,3.63,s,
H,75,3.63,s,
H,76,3.63,s,
H,77,2.05,s,
H,78,2.05,s,
H,79,,,
H,80,2.67,s,
H,81,6.77,dd,"7.4,2.4"
H,82,7.56,dd,"7.4,0.5"
H,83,1.7,ddd,"12.4,12.2,6.2"
H,84,1.7,ddd,"12.4,4.6,3.7"
H,85,3.34,ddd,"12.4,6.2,4.6"
H,86,3.34,ddd,"12.4,12.2,3.7"
H,87,4.04,dd,"9.4,4.0"
H,88,4.04,dd,"9.4,3.4"
H,89,5.89,ddd,"7.3,4.0,3.4"
H,90,6.45,d,7.3
H,91,1.99,ddd,"12.4,11.4,3.3"
H,92,1.99,ddd,"12.4,12.2,2.4"
H,93,1.99,ddd,"12.4,11.4,2.4"
H,94,1.99,ddd,"12.4,12.2,3.3"
H,95,4.09,dd,"12.5,3.4"
H,96,2.02,dd,"12.4,3.4"
H,97,2.02,dd,"12.5,12.4"
