C,1,14.08,s, C,2,22.67,s, C,3,31.8,s, C,4,29.42,s, C,5,29.59,s, C,6,29.55,s, C,7,29.55,s, C,8,29.25,s, C,9,29.55,s, C,10,29.66,s, C,11,29.66,s, C,12,29.66,s, C,13,29.76,s, C,14,25.86,s, C,15,33.43,s, C,16,173.55,s, O,17,,, O,18,,, C,19,74.57,s, C,20,34.66,s, C,21,25.11,s, C,22,28.69,s, C,23,29.66,s, C,24,28.39,s, C,25,29.55,s, C,26,29.7,s, C,27,29.75,s, C,28,29.1,s, C,29,27.4,s, C,30,39.1,s, C,31,28.1,s, C,32,22.8,s, C,33,22.8,s, C,34,41.21,s, C,35,173.4,s, O,36,,, N,37,,, C,38,54.6,s, C,39,71.7,s, O,40,,, C,41,69.7,s, O,42,,, C,43,73.4,s, C,44,60.83,s, O,45,,, O,46,,, C,47,99.42,s, O,48,,, C,49,67.92,s, C,50,75.07,s, O,51,,, C,52,101.16,s, O,53,,, P,54,,, O,55,,, O,56,,, O,57,,, C,58,51.27,s, N,59,,, C,60,173.4,s, O,61,,, C,62,41.21,s, C,63,67.6,s, O,64,,, C,65,36.68,s, C,66,25.6,s, C,67,30.18,s, C,68,30.07,s, C,69,28.39,s, C,70,29.55,s, C,71,29.7,s, C,72,29.75,s, C,73,29.1,s, C,74,27.4,s, C,75,39.1,s, C,76,28.1,s, C,77,22.8,s, C,78,22.8,s, C,79,78.37,s, O,80,,, C,81,171.34,s, O,82,,, C,83,40.77,s, C,84,70.05,s, O,85,,, C,86,36.68,s, C,87,25.6,s, C,88,30.18,s, C,89,30.07,s, C,90,28.39,s, C,91,29.55,s, C,92,29.55,s, C,93,29.55,s, C,94,29.59,s, C,95,29.42,s, C,96,31.8,s, C,97,22.67,s, C,98,14.08,s, C,99,74.96,s, O,100,,, H,101,0.86,t,7.0 H,102,0.86,t,7.0 H,103,0.86,t,7.0 H,104,1.29,qt,"7.0,6.5" H,105,1.29,qt,"7.0,6.5" H,106,1.28,tt,"6.6,6.5" H,107,1.28,tt,"6.6,6.5" H,108,1.27,m,6.6 H,109,1.27,m,6.6 H,110,1.27,m,6.6 H,111,1.27,m,6.6 H,112,1.27,m,6.6 H,113,1.27,m,6.6 H,114,1.27,m,6.6 H,115,1.27,m,6.6 H,116,1.27,m,6.6 H,117,1.27,m,6.6 H,118,1.27,m,6.6 H,119,1.27,m,6.6 H,120,1.27,m,6.6 H,121,1.27,m,6.6 H,122,1.27,m,6.6 H,123,1.27,m,6.6 H,124,1.27,m,6.6 H,125,1.27,m,6.6 H,126,1.27,m,6.6 H,127,1.27,m,6.6 H,128,1.59,tt,"6.7,6.6" H,129,1.59,tt,"6.7,6.6" H,130,2.43,t,6.7 H,131,2.43,t,6.7 H,132,3.85,tt,"5.8,5.7" H,133,2.86,td,"6.6,5.7" H,134,2.86,td,"6.6,5.7" H,135,1.31,m,6.6 H,136,1.31,m,6.6 H,137,1.27,m,6.6 H,138,1.27,m,6.6 H,139,1.27,m,6.6 H,140,1.27,m,6.6 H,141,1.27,m,6.6 H,142,1.27,m,6.6 H,143,1.27,m,6.6 H,144,1.27,m,6.6 H,145,1.27,m,6.6 H,146,1.27,m,6.6 H,147,1.27,m,6.6 H,148,1.27,m,6.6 H,149,1.27,m,6.6 H,150,1.27,m,6.6 H,151,1.27,m,6.6 H,152,1.27,m,6.6 H,153,1.31,td,"6.6,5.9" H,154,1.31,td,"6.6,5.9" H,155,1.27,m,"6.4,5.9" H,156,0.92,d,6.4 H,157,0.92,d,6.4 H,158,0.92,d,6.4 H,159,0.92,d,6.4 H,160,0.92,d,6.4 H,161,0.92,d,6.4 H,162,2.86,dd,"14.4,5.8" H,163,2.25,dd,"14.4,5.8" H,164,,, H,165,3.85,dd,"9.5,6.2" H,166,3.49,dd,"9.5,1.3" H,167,,, H,168,4.12,dd,"2.0,1.3" H,169,,, H,170,4.12,td,"5.4,2.0" H,171,3.72,dd,"11.4,5.4" H,172,3.73,dd,"11.4,5.4" H,173,,, H,174,3.85,d,6.2 H,175,2.86,dd,"11.4,5.3" H,176,3.85,dd,"11.4,5.3" H,177,3.85,dt,"7.6,5.3" H,178,5.63,dd,"7.0,2.1" H,179,,, H,180,,, H,181,3.85,dd,"2.1,1.6" H,182,,, H,183,2.25,d,5.8 H,184,2.25,d,5.8 H,185,3.98,tt,"5.8,5.6" H,186,,, H,187,2.86,dtd,"12.4,6.6,5.6" H,188,1.46,dtd,"12.4,6.6,5.6" H,189,1.31,m,6.6 H,190,1.31,m,6.6 H,191,1.27,m,6.6 H,192,1.27,m,6.6 H,193,1.27,m,6.6 H,194,1.27,m,6.6 H,195,1.27,m,6.6 H,196,1.27,m,6.6 H,197,1.27,m,6.6 H,198,1.27,m,6.6 H,199,1.27,m,6.6 H,200,1.27,m,6.6 H,201,1.27,m,6.6 H,202,1.27,m,6.6 H,203,1.27,m,6.6 H,204,1.27,m,6.6 H,205,1.27,m,6.6 H,206,1.27,m,6.6 H,207,1.31,td,"6.6,5.9" H,208,1.31,td,"6.6,5.9" H,209,1.7,m,"6.4,5.9" H,210,0.92,d,6.4 H,211,0.92,d,6.4 H,212,0.92,d,6.4 H,213,0.92,d,6.4 H,214,0.92,d,6.4 H,215,0.92,d,6.4 H,216,3.49,dd,"4.3,1.6" H,217,2.43,d,5.8 H,218,2.43,d,5.8 H,219,3.98,tt,"5.8,5.6" H,220,,, H,221,2.52,dtd,"12.4,6.6,5.6" H,222,1.46,dtd,"12.4,6.6,5.6" H,223,1.3,m,"12.4,6.6" H,224,1.4,m,"12.4,6.6" H,225,1.27,m,6.6 H,226,1.27,m,6.6 H,227,1.27,m,6.6 H,228,1.27,m,6.6 H,229,1.27,m,6.6 H,230,1.27,m,6.6 H,231,1.27,m,6.6 H,232,1.27,m,6.6 H,233,1.27,m,6.6 H,234,1.27,m,6.6 H,235,1.27,m,6.6 H,236,1.27,m,6.6 H,237,1.27,m,6.6 H,238,1.27,m,6.6 H,239,1.27,m,6.6 H,240,1.27,m,6.6 H,241,1.27,tt,"6.6,6.5" H,242,1.27,tt,"6.6,6.5" H,243,1.27,qt,"7.0,6.5" H,244,1.27,qt,"7.0,6.5" H,245,0.85,t,7.0 H,246,0.85,t,7.0 H,247,0.85,t,7.0 H,248,3.85,dd,"7.6,4.3" H,249,,,