C,1,24.14,s, C,2,68.66,s, O,3,,, C,4,125.2,s, C,5,149.25,s, N,6,,, C,7,146.56,s, C,8,125.85,s, C,9,142.95,s, C,10,35.29,s, C,11,57.16,s, C,12,134.23,s, N,13,,, C,14,136.05,s, C,15,110.86,s, C,16,121.27,s, C,17,119.48,s, C,18,118.0,s, C,19,127.29,s, C,20,107.76,s, C,21,20.3,s, C,22,39.76,s, N,23,,, C,24,165.65,s, O,25,,, H,26,1.59,d,6.3 H,27,1.59,d,6.3 H,28,1.59,d,6.3 H,29,5.33,q,6.3 H,30,,, H,31,8.69,s, H,32,9.4,s, H,33,3.01,dd,"15.4,3.2" H,34,3.01,dd,"15.4,13.7" H,35,4.91,dd,"13.7,3.2" H,36,,, H,37,7.32,ddd,"7.0,1.4,0.5" H,38,7.18,ddd,"9.0,7.0,1.4" H,39,7.13,ddd,"9.0,7.5,1.4" H,40,7.48,ddd,"7.5,1.4,0.5" H,41,2.84,ddd,"15.4,5.1,2.9" H,42,2.84,ddd,"15.4,13.7,3.9" H,43,4.09,ddd,"13.7,12.4,5.1" H,44,4.09,ddd,"12.4,3.9,2.9"