C,1,51.23,s,
O,2,,,
C,3,168.57,s,
O,4,,,
C,5,92.77,s,
C,6,167.77,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,56.37,s,
C,15,46.0,s,
C,16,51.17,s,
N,17,,,
C,18,62.58,s,
C,19,41.86,s,
C,20,42.11,s,
C,21,38.61,s,
C,22,42.11,s,
C,23,41.86,s,
C,24,36.62,s,
C,25,67.25,s,
O,26,,,
C,27,78.41,s,
C,28,31.28,s,
C,29,44.92,s,
N,30,,,
C,31,52.15,s,
C,32,42.09,s,
C,33,53.24,s,
C,34,134.28,s,
C,35,124.58,s,
C,36,123.0,s,
C,37,113.93,s,
C,38,146.5,s,
O,39,,,
C,40,56.79,s,
C,41,131.53,s,
N,42,,,
C,43,62.58,s,
C,44,61.05,s,
C,45,71.28,s,
C,46,73.63,s,
O,47,,,
C,48,67.25,s,
C,49,36.62,s,
C,50,41.86,s,
C,51,42.24,s,
C,52,71.28,s,
H,53,3.75,s,
H,54,3.75,s,
H,55,3.75,s,
H,56,,,
H,57,6.85,ddd,"8.2,1.4,0.5"
H,58,7.13,ddd,"8.2,7.3,1.4"
H,59,6.86,ddd,"8.6,7.3,1.4"
H,60,7.22,ddd,"8.6,1.4,0.5"
H,61,1.62,ddd,"12.4,10.8,4.2"
H,62,1.62,ddd,"12.4,11.0,8.0"
H,63,2.89,ddd,"11.0,9.4,4.2"
H,64,2.89,ddd,"10.8,9.4,8.0"
H,65,3.17,s,
H,66,3.17,s,
H,67,2.04,dd,"12.4,12.3"
H,68,2.04,dd,"12.4,3.3"
H,69,2.14,m,
H,70,2.04,dd,"12.4,1.5"
H,71,2.04,dd,"12.4,9.3"
H,72,2.19,ddd,"10.0,8.4,1.5"
H,73,2.19,dt,"9.2,8.4"
H,74,3.95,ddd,"10.0,8.4,6.4"
H,75,3.95,ddd,"9.2,6.4,1.5"
H,76,4.53,dd,"8.4,7.2"
H,77,1.7,m,
H,78,1.7,m,
H,79,2.78,ddd,"12.4,11.3,3.9"
H,80,2.78,ddd,"12.4,11.2,3.1"
H,81,3.11,ddd,"10.7,9.4,6.9"
H,82,3.11,ddd,"11.8,9.4,2.5"
H,83,1.89,ddd,"12.4,10.7,2.5"
H,84,1.89,ddd,"12.4,11.8,6.9"
H,85,7.25,dd,"7.6,1.4"
H,86,6.9,dd,"7.6,6.9"
H,87,6.98,dd,"6.9,1.4"
H,88,3.85,s,
H,89,3.85,s,
H,90,3.85,s,
H,91,3.17,s,
H,92,3.17,s,
H,93,3.54,d,5.9
H,94,2.67,s,
H,95,4.52,s,
H,96,3.95,ddd,"13.2,6.4,6.0"
H,97,3.95,ddd,"8.1,6.4,0.6"
H,98,2.19,ddd,"13.2,8.4,8.1"
H,99,2.19,ddd,"8.4,6.0,0.6"
H,100,2.81,s,
H,101,2.81,s,
H,102,2.67,s,
