C,1,42.3,s, N,2,,, C,3,62.58,s, C,4,41.86,s, C,5,23.79,s, C,6,35.28,s, C,7,18.83,s, C,8,35.28,s, C,9,41.86,s, C,10,61.05,s, C,11,42.9,s, C,12,34.31,s, C,13,38.58,s, C,14,32.65,s, C,15,53.0,s, C,16,41.86,s, C,17,35.28,s, C,18,28.16,s, C,19,56.7,s, C,20,46.67,s, C,21,79.18,s, C,22,35.22,s, C,23,35.28,s, C,24,41.86,s, C,25,30.25,s, C,26,132.74,s, C,27,132.07,s, C,28,41.86,s, C,29,35.28,s, C,30,18.9,s, C,31,35.28,s, C,32,41.86,s, C,33,23.79,s, C,34,62.58,s, N,35,,, C,36,49.3,s, C,37,64.38,s, O,38,,, C,39,96.72,s, C,40,48.76,s, C,41,20.71,s, C,42,35.28,s, C,43,41.86,s, C,44,42.11,s, C,45,24.31,s, C,46,73.63,s, O,47,,, H,48,2.36,s, H,49,2.36,s, H,50,2.36,s, H,51,2.29,s, H,52,2.29,s, H,53,0.7,s, H,54,0.7,s, H,55,0.7,s, H,56,1.2,ddd,"18.5,12.4,10.3" H,57,1.2,ddd,"12.4,11.0,2.8" H,58,1.8,m, H,59,1.8,m, H,60,1.72,ddd,"13.2,12.4,5.0" H,61,1.72,ddd,"17.1,12.4,8.9" H,62,3.54,d,17.1 H,63,1.94,ddd,"17.1,16.4,9.6" H,64,1.89,ddd,"16.4,12.4,6.7" H,65,1.89,ddd,"13.5,12.4,9.6" H,66,1.63,m, H,67,1.66,ddd,"12.4,10.0,8.4" H,68,1.66,ddd,"14.0,12.4,4.5" H,69,2.83,dd,"14.0,8.4" H,70,1.72,ddd,"17.0,14.2,12.4" H,71,1.72,ddd,"12.4,12.3,9.5" H,72,1.58,m, H,73,1.58,m, H,74,1.14,dd,"17.1,14.3" H,75,2.06,s, H,76,2.06,s, H,77,1.9,ddd,"18.2,12.4,11.4" H,78,1.9,ddd,"12.4,11.4,4.6" H,79,1.72,ddd,"12.4,11.4,4.6" H,80,1.72,ddd,"18.2,12.4,11.4" H,81,2.1,dd,"7.8,6.6" H,82,5.92,d,6.6 H,83,1.72,ddd,"12.4,11.0,2.8" H,84,1.72,ddd,"17.8,12.4,9.6" H,85,1.63,m, H,86,1.63,m, H,87,1.2,ddd,"17.8,12.4,9.6" H,88,1.2,ddd,"12.4,10.3,2.1" H,89,0.7,s, H,90,0.7,s, H,91,0.7,s, H,92,3.17,s, H,93,3.17,s, H,94,3.28,ddd,"15.5,7.5,5.4" H,95,3.28,ddd,"7.5,5.4,0.4" H,96,3.81,ddd,"7.5,6.4,0.4" H,97,3.81,ddd,"15.5,7.5,6.4" H,98,5.98,s, H,99,2.11,dd,"17.8,13.1" H,100,1.74,m, H,101,1.74,m, H,102,1.72,ddd,"15.8,12.4,11.2" H,103,1.72,ddd,"12.4,10.5,5.8" H,104,2.04,dd,"13.8,12.4" H,105,2.04,dd,"12.4,7.2" H,106,1.48,ddd,"13.8,7.8,7.2" H,107,4.52,s,