C,1,56.31,s, O,2,,, C,3,151.83,s, C,4,110.33,s, C,5,131.87,s, C,6,125.03,s, C,7,145.43,s, C,8,139.54,s, O,9,,, C,10,60.99,s, O,11,,, C,12,145.43,s, C,13,139.54,s, O,14,,, C,15,60.99,s, C,16,153.49,s, O,17,,, C,18,56.23,s, C,19,110.47,s, C,20,129.13,s, C,21,125.15,s, C,22,55.95,s, C,23,40.0,s, C,24,131.4,s, C,25,121.89,s, C,26,113.71,s, C,27,147.49,s, O,28,,, C,29,147.2,s, C,30,123.01,s, O,31,,, C,32,153.95,s, C,33,122.0,s, C,34,130.5,s, C,35,134.0,s, C,36,130.5,s, C,37,122.0,s, C,38,39.73,s, C,39,64.8,s, N,40,,, C,41,42.33,s, C,42,50.18,s, C,43,23.0,s, N,44,,, C,45,41.32,s, C,46,27.94,s, H,47,3.87,s, H,48,3.87,s, H,49,3.87,s, H,50,6.64,s, H,51,3.81,s, H,52,3.81,s, H,53,3.81,s, H,54,3.81,s, H,55,3.81,s, H,56,3.81,s, H,57,3.87,s, H,58,3.87,s, H,59,3.87,s, H,60,6.46,s, H,61,4.49,dd,"6.2,4.0" H,62,3.01,dd,"15.4,6.2" H,63,3.01,dd,"15.4,4.0" H,64,6.52,dd,"8.1,1.9" H,65,6.78,dd,"8.1,0.5" H,66,,, H,67,4.74,dd,"1.9,0.5" H,68,7.09,ddd,"20.1,1.9,0.5" H,69,7.22,ddd,"20.1,1.9,0.5" H,70,7.22,ddd,"26.2,1.9,0.5" H,71,7.09,ddd,"26.2,1.9,0.5" H,72,3.66,dd,"15.4,6.0" H,73,3.66,dd,"15.4,4.8" H,74,4.39,dd,"6.0,4.8" H,75,2.54,s, H,76,2.54,s, H,77,2.54,s, H,78,2.78,ddd,"12.4,12.1,1.2" H,79,2.78,ddd,"12.4,7.9,1.7" H,80,2.59,ddd,"15.4,7.9,1.2" H,81,2.59,ddd,"15.4,12.1,1.7" H,82,,, H,83,3.09,ddd,"12.4,9.9,1.7" H,84,3.09,ddd,"12.4,9.7,7.2" H,85,2.83,ddd,"15.4,9.7,1.7" H,86,2.83,ddd,"15.4,9.9,7.2"