C,1,18.25,s, C,2,72.54,s, O,3,,, C,4,106.59,s, O,5,,, C,6,88.71,s, C,7,26.92,s, C,8,39.23,s, C,9,36.92,s, C,10,15.59,s, C,11,56.14,s, C,12,18.17,s, C,13,33.77,s, C,14,43.99,s, C,15,17.82,s, C,16,47.79,s, C,17,23.77,s, C,18,123.25,s, C,19,149.11,s, C,20,41.82,s, C,21,45.86,s, C,22,30.64,s, C,23,28.34,s, C,24,28.34,s, C,25,33.93,s, C,26,32.57,s, C,27,46.23,s, C,28,181.39,s, O,29,,, O,30,,, C,31,26.17,s, C,32,35.28,s, C,33,63.6,s, C,34,179.7,s, O,35,,, O,36,,, C,37,40.02,s, C,38,22.28,s, C,39,22.28,s, C,40,75.76,s, O,41,,, C,42,78.18,s, O,43,,, C,44,73.88,s, O,45,,, H,46,1.27,d,6.1 H,47,1.27,d,6.1 H,48,1.27,d,6.1 H,49,4.01,qd,"6.1,1.7" H,50,5.28,d,9.1 H,51,3.36,dd,"10.5,6.1" H,52,1.97,m, H,53,1.97,m, H,54,1.97,ddd,"12.4,8.2,2.6" H,55,1.97,ddd,"12.4,10.0,9.6" H,56,0.88,s, H,57,0.88,s, H,58,0.88,s, H,59,0.74,dd,"9.8,7.9" H,60,1.46,m, H,61,1.46,m, H,62,1.59,ddd,"12.4,8.2,1.7" H,63,1.59,ddd,"12.4,9.3,9.0" H,64,1.02,s, H,65,1.02,s, H,66,1.02,s, H,67,1.76,dd,"13.2,4.0" H,68,1.93,ddd,"15.4,13.2,2.8" H,69,1.93,ddd,"15.4,5.2,4.0" H,70,5.48,dd,"5.2,2.8" H,71,3.16,dd,"12.6,6.7" H,72,1.58,dd,"12.6,12.4" H,73,1.58,dd,"12.4,6.7" H,74,0.94,s, H,75,0.94,s, H,76,0.94,s, H,77,0.94,s, H,78,0.94,s, H,79,0.94,s, H,80,1.34,ddd,"12.4,11.4,8.3" H,81,1.34,ddd,"12.4,7.1,1.3" H,82,1.73,ddd,"12.4,11.4,7.1" H,83,1.73,ddd,"12.4,8.3,1.3" H,84,,, H,85,2.31,ddd,"12.4,4.6,4.4" H,86,2.31,ddd,"13.4,12.4,0.9" H,87,1.72,ddd,"13.4,12.4,4.4" H,88,1.72,ddd,"12.4,4.6,0.9" H,89,,, H,90,1.1,s, H,91,1.1,s, H,92,1.1,s, H,93,1.1,s, H,94,1.1,s, H,95,1.1,s, H,96,3.79,dd,"9.7,9.1" H,97,,, H,98,4.05,dd,"9.7,3.1" H,99,,, H,100,3.91,dd,"3.1,1.7" H,101,,,