C,1,21.54,s, C,2,170.11,s, O,3,,, O,4,,, C,5,77.56,s, C,6,27.87,s, C,7,27.87,s, C,8,135.73,s, C,9,129.35,s, C,10,197.92,s, O,11,,, C,12,77.1,s, C,13,26.44,s, O,14,,, C,15,47.92,s, C,16,72.8,s, O,17,,, C,18,48.02,s, C,19,43.99,s, C,20,17.82,s, C,21,48.76,s, C,22,23.99,s, C,23,123.27,s, C,24,155.52,s, C,25,132.07,s, C,26,153.07,s, O,27,,, C,28,174.33,s, O,29,,, C,30,41.86,s, C,31,23.79,s, C,32,23.79,s, C,33,52.17,s, C,34,23.63,s, C,35,,, O,36,,, C,37,48.7,s, C,38,43.99,s, C,39,17.82,s, H,40,2.14,s, H,41,2.14,s, H,42,2.14,s, H,43,1.45,s, H,44,1.45,s, H,45,1.45,s, H,46,1.45,s, H,47,1.45,s, H,48,1.45,s, H,49,5.99,d,16.0 H,50,6.72,d,16.0 H,51,1.68,s, H,52,1.68,s, H,53,1.68,s, H,54,,, H,55,3.07,d,7.7 H,56,4.72,ddd,"9.5,7.7,3.1" H,57,,, H,58,2.07,dd,"12.4,3.1" H,59,2.07,dd,"12.4,9.5" H,60,0.99,s, H,61,0.99,s, H,62,0.99,s, H,63,2.11,dd,"6.2,3.4" H,64,2.22,ddd,"15.4,6.5,3.4" H,65,2.22,ddd,"15.4,6.2,3.2" H,66,5.78,dd,"6.5,3.2" H,67,7.79,s, H,68,1.13,s, H,69,1.13,s, H,70,1.13,s, H,71,1.13,s, H,72,1.13,s, H,73,1.13,s, H,74,1.13,s, H,75,1.13,s, H,76,1.13,s, H,77,2.57,s, H,78,2.57,s, H,79,1.02,s, H,80,1.02,s, H,81,1.02,s,