C,1,51.23,s,
O,2,,,
C,3,168.57,s,
O,4,,,
C,5,92.77,s,
C,6,167.77,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,56.37,s,
C,15,46.0,s,
C,16,51.17,s,
N,17,,,
C,18,53.0,s,
C,19,132.07,s,
C,20,36.64,s,
C,21,132.07,s,
C,22,142.69,s,
C,23,41.86,s,
C,24,36.62,s,
C,25,59.35,s,
O,26,,,
C,27,42.24,s,
C,28,92.77,s,
C,29,168.57,s,
O,30,,,
O,31,,,
C,32,51.23,s,
C,33,167.77,s,
N,34,,,
C,35,144.53,s,
C,36,110.57,s,
C,37,128.5,s,
C,38,121.8,s,
C,39,121.9,s,
C,40,138.17,s,
C,41,56.37,s,
C,42,46.0,s,
C,43,51.17,s,
N,44,,,
C,45,53.0,s,
C,46,71.28,s,
C,47,142.69,s,
C,48,41.86,s,
C,49,36.62,s,
C,50,59.35,s,
O,51,,,
C,52,42.24,s,
C,53,71.28,s,
H,54,3.75,s,
H,55,3.75,s,
H,56,3.75,s,
H,57,,,
H,58,6.85,ddd,"7.3,1.4,0.5"
H,59,7.13,ddd,"8.5,7.3,1.4"
H,60,6.86,ddd,"8.5,8.2,1.4"
H,61,7.22,ddd,"8.2,1.4,0.5"
H,62,1.62,ddd,"12.4,11.9,7.9"
H,63,1.62,ddd,"12.4,7.8,1.2"
H,64,2.89,ddd,"9.4,7.9,1.2"
H,65,2.89,ddd,"11.9,9.4,7.8"
H,66,3.85,s,
H,67,3.85,s,
H,68,1.68,s,
H,69,1.68,s,
H,70,5.99,s,
H,71,2.19,t,6.4
H,72,2.19,t,6.4
H,73,3.69,t,6.4
H,74,3.69,t,6.4
H,75,,,
H,76,2.43,s,
H,77,2.43,s,
H,78,3.75,s,
H,79,3.75,s,
H,80,3.75,s,
H,81,,,
H,82,6.85,ddd,"7.8,1.4,0.5"
H,83,7.13,ddd,"7.8,6.9,1.4"
H,84,6.86,ddd,"9.2,6.9,1.4"
H,85,7.22,ddd,"9.2,1.4,0.5"
H,86,1.62,ddd,"12.4,9.3,1.3"
H,87,1.62,ddd,"12.4,11.4,9.3"
H,88,2.89,ddd,"9.4,9.3,1.3"
H,89,2.89,ddd,"11.4,9.4,9.3"
H,90,3.85,s,
H,91,3.85,s,
H,92,2.67,s,
H,93,5.99,s,
H,94,2.19,t,6.4
H,95,2.19,t,6.4
H,96,3.69,t,6.4
H,97,3.69,t,6.4
H,98,,,
H,99,2.43,s,
H,100,2.43,s,
H,101,2.67,s,
