C,1,12.85,s, C,2,120.71,s, C,3,142.04,s, C,4,51.67,s, N,5,,, C,6,154.22,s, O,7,,, N,8,,, C,9,51.67,s, C,10,142.04,s, C,11,120.71,s, C,12,12.85,s, C,13,42.38,s, C,14,35.12,s, C,15,78.41,s, O,16,,, C,17,70.43,s, C,18,40.4,s, C,19,62.1,s, C,20,38.34,s, C,21,53.0,s, C,22,174.7,s, O,23,,, N,24,,, O,25,,, C,26,63.4,s, C,27,138.3,s, C,28,107.2,s, C,29,128.1,s, C,30,123.7,s, C,31,125.5,s, C,32,132.0,s, C,33,62.1,s, C,34,38.34,s, C,35,53.0,s, C,36,174.7,s, O,37,,, N,38,,, O,39,,, C,40,63.4,s, C,41,139.75,s, C,42,101.61,s, C,43,158.96,s, O,44,,, C,45,55.46,s, C,46,104.5,s, C,47,120.6,s, C,48,132.0,s, C,49,78.41,s, C,50,35.12,s, C,51,42.38,s, C,52,40.4,s, C,53,70.43,s, O,54,,, H,55,1.65,d,7.0 H,56,1.65,d,7.0 H,57,1.65,d,7.0 H,58,5.45,q,7.0 H,59,3.82,s, H,60,3.82,s, H,61,3.82,s, H,62,3.82,s, H,63,5.45,q,7.0 H,64,1.65,d,7.0 H,65,1.65,d,7.0 H,66,1.65,d,7.0 H,67,2.99,ddd,"11.0,5.7,4.3" H,68,1.88,ddd,"12.4,4.3,1.9" H,69,1.88,ddd,"12.4,11.0,7.4" H,70,4.77,dd,"7.4,1.9" H,71,4.04,dd,"9.4,2.8" H,72,4.04,dd,"9.4,3.2" H,73,2.83,m, H,74,3.6,ddd,"10.0,7.7,2.0" H,75,2.15,dd,"12.4,7.7" H,76,2.15,dd,"12.4,10.0" H,77,3.73,s, H,78,3.73,s, H,79,3.73,s, H,80,7.14,ddd,"7.7,1.4,0.5" H,81,7.23,ddd,"7.7,6.9,1.4" H,82,6.94,ddd,"7.8,6.9,1.4" H,83,7.25,ddd,"7.8,1.4,0.5" H,84,3.6,ddd,"9.4,6.6,3.5" H,85,2.15,dd,"12.4,9.4" H,86,2.15,dd,"12.4,6.6" H,87,3.73,s, H,88,3.73,s, H,89,3.73,s, H,90,7.09,dd,"1.9,0.5" H,91,3.84,s, H,92,3.84,s, H,93,3.84,s, H,94,6.93,dd,"9.1,1.9" H,95,7.56,dd,"9.1,0.5" H,96,4.77,dd,"8.1,1.0" H,97,1.88,ddd,"12.4,7.9,1.0" H,98,1.88,ddd,"12.4,9.7,8.1" H,99,2.99,ddd,"9.7,7.9,3.8" H,100,2.83,m, H,101,4.04,dd,"9.4,2.2" H,102,4.04,dd,"9.4,3.6"