C,1,23.02,s, C,2,47.9,s, C,3,23.02,s, C,4,,, O,5,,, C,6,35.03,s, C,7,37.98,s, C,8,35.85,s, C,9,15.19,s, C,10,47.74,s, C,11,35.12,s, C,12,75.84,s, O,13,,, C,14,51.85,s, C,15,14.45,s, C,16,44.35,s, C,17,24.38,s, C,18,27.77,s, C,19,28.49,s, C,20,36.54,s, C,21,21.2,s, C,22,28.49,s, C,23,30.55,s, C,24,42.45,s, C,25,25.73,s, C,26,182.23,s, O,27,,, O,28,,, C,29,46.67,s, C,30,78.1,s, O,31,,, C,32,145.69,s, C,33,116.47,s, C,34,24.4,s, C,35,52.37,s, H,36,1.09,s, H,37,1.09,s, H,38,1.09,s, H,39,1.09,s, H,40,1.09,s, H,41,1.09,s, H,42,2.48,ddd,"15.4,5.0,2.7" H,43,2.48,ddd,"15.4,13.3,5.2" H,44,2.2,ddd,"12.4,5.2,2.7" H,45,2.2,ddd,"13.3,12.4,5.0" H,46,0.88,s, H,47,0.88,s, H,48,0.88,s, H,49,2.94,dd,"9.1,9.0" H,50,1.88,ddd,"12.4,10.0,9.1" H,51,1.88,ddd,"12.4,9.0,3.2" H,52,4.12,dd,"10.0,3.2" H,53,,, H,54,1.03,s, H,55,1.03,s, H,56,1.03,s, H,57,1.26,s, H,58,1.26,s, H,59,1.26,s, H,60,1.61,ddd,"12.4,11.8,3.9" H,61,1.61,ddd,"12.4,12.0,2.2" H,62,1.72,ddd,"12.4,12.0,3.9" H,63,1.72,ddd,"12.4,11.8,2.2" H,64,1.13,s, H,65,1.13,s, H,66,1.13,s, H,67,1.72,ddd,"12.4,6.6,0.9" H,68,1.72,ddd,"12.4,10.9,1.0" H,69,1.82,ddd,"12.4,6.6,1.0" H,70,1.82,ddd,"12.4,10.9,0.9" H,71,1.2,s, H,72,1.2,s, H,73,1.2,s, H,74,,, H,75,2.06,s, H,76,2.06,s, H,77,,, H,78,5.7,dd,"6.2,2.7" H,79,2.22,ddd,"15.4,7.6,6.2" H,80,2.22,ddd,"15.4,11.7,2.7" H,81,2.11,dd,"11.7,7.6"