C,1,26.74,s, C,2,,, O,3,,, C,4,41.86,s, C,5,35.28,s, C,6,20.97,s, C,7,46.8,s, N,8,,, C,9,51.11,s, C,10,18.46,s, C,11,104.7,s, C,12,136.6,s, N,13,,, C,14,137.9,s, C,15,111.85,s, C,16,121.55,s, C,17,120.15,s, C,18,118.22,s, C,19,128.11,s, C,20,78.55,s, O,21,,, C,22,39.63,s, C,23,58.84,s, H,24,2.2,s, H,25,2.2,s, H,26,2.2,s, H,27,1.72,ddd,"12.4,9.0,0.8" H,28,1.72,ddd,"12.4,9.8,9.5" H,29,1.61,m, H,30,1.61,m, H,31,2.53,ddd,"12.4,10.0,7.3" H,32,2.53,ddd,"12.4,10.8,2.1" H,33,3.29,ddd,"12.4,11.3,4.1" H,34,3.29,ddd,"12.4,11.3,3.9" H,35,2.83,ddd,"15.4,11.3,3.9" H,36,2.83,ddd,"15.4,11.3,4.1" H,37,7.3,ddd,"6.9,1.4,0.5" H,38,7.3,ddd,"7.8,6.9,1.4" H,39,7.2,ddd,"7.8,6.9,1.4" H,40,7.5,ddd,"6.9,1.4,0.5" H,41,6.01,dd,"12.9,3.7" H,42,,, H,43,2.05,dd,"12.9,12.4" H,44,2.05,dd,"12.4,3.7" H,45,4.1,s,