Atom number | 1a | 1b | 2a | 3a | 3b | 4a | 5a | 6a | 6b | 7a | 8b |
---|---|---|---|---|---|---|---|---|---|---|---|
1 | 23.25 | 22.84 | 23.61 | 23.91 | 23.30 | 23.40 | 25.88 | 25.73 | 25.46 | 19.03 | 24.95 |
2 | 26.99 | 26.33 | 30.83 | 30.89 | 30.49 | 30.97 | 30.87 | 30.72 | 30.53 | 26.44 | 29.63 |
3 | 69.19 | 68.67 | 66.41 | 66.53 | 64.45 | 66.34 | 66.03 | 66.04 | 64.27 | 64.52 | 63.36 |
4 | 40.26 | 39.66 | 44.03 | 44.14 | 43.84 | 43.72 | 44.44 | 44.69 | 44.65 | 48.81 | 45.80 |
5 | 75.67 | 76.70 | 76.84 | 76.31 | 77.49 | 75.61 | 75.83 | 76.47 | 77.80 | 69.50 | 74.55 |
6 | 82.01 | 80.54 | 82.08 | 82.36 | 80.98 | 81.76 | 81.62 | 81.99 | 80.85 | 82.63 | 80.39 |
7 | 31.52 | 31.29 | 31.59 | 31.59 | 31.45 | 30.70 | 31.22 | 31.25 | 31.13 | 28.96 | 32.53 |
8 | 33.05 | 32.40 | 33.09 | 33.60 | 33.06 | 35.73 | 33.37 | 30.86 | 30.34 | 30.81 | 31.13 |
9 | 46.76 | 46.57 | 46.92 | 46.92 | 46.43 | 45.64 | 52.50 | 53.55 | 52.91 | 49.34 | 52.73 |
10 | 45.95 | 45.27 | 45.92 | 45.82 | 45.11 | 45.71 | 81.41 | 47.64 | 47.08 | 46.68 | 47.56 |
11 | 21.81 | 31.07 | 21.91 | 22.15 | 21.49 | 23.34 | 68.72 | 68.73 | 66.88 | 68.42 | 65.76 |
12 | 30.83 | 30.48 | 30.91 | 32.23 | 32.05 | 39.32 | 50.39 | 43.36 | 42.83 | 43.63 | 42.38 |
13 | 48.36 | 47.70 | 48.40 | 46.02 | 45.39 | 83.08 | 47.45 | 48.62 | 47.95 | 48.37 | 50.50 |
14 | 49.57 | 48.95 | 49.65 | 46.93 | 46.60 | 44.84 | 44.10 | 48.69 | 48.27 | 48.78 | 47.79 |
15 | 21.43 | 20.96 | 21.49 | 23.71 | 23.43 | 19.55 | 19.59 | 21.34 | 20.91 | 21.33 | 20.55 |
16 | 35.85 | 35.28 | 35.88 | 32.69 | 32.08 | 28.63 | 28.58 | 35.94 | 35.49 | 35.94 | 35.42 |
17 | 220.26 | 219.18 | 220.38 | 79.71 | 77.54 | 171.39 | 170.90 | 218.80 | 218.50 | 218.64 | 217.87 |
18 | 14.31 | 13.86 | 14.33 | 17.55 | 17.31 | 20.47 | 21.41 | 15.09 | 14.63 | 14.87 | 14.38 |
19 | 68.65 | 67.62 | 68.76 | 68.70 | 67.70 | 68.30 | 69.21 | 69.74 | 68.74 | 101.94 | 174.95 |
–COCH3 | 21.46 | 21.02 |  |  |  |  | – | – | – |  |  |
–COCH3 | 170.45 | 169.80 |  |  |  |  | – | – | – |  |  |