LD3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | B10 | sing | 1.74Å | 1.74Å | |
| C7 | B6 | sing | 1.73Å | 1.73Å | |
| C7 | B9 | sing | 1.71Å | 1.71Å | |
| C7 | B8 | sing | 1.72Å | 1.72Å | |
| C7 | B3 | sing | 1.73Å | 1.73Å | |
| B10 | B6 | sing | 1.78Å | 1.78Å | |
| B10 | B11 | sing | 1.79Å | 1.79Å | |
| B10 | B5 | sing | 1.79Å | 1.79Å | |
| B10 | B9 | sing | 1.78Å | 1.78Å | |
| B6 | B5 | sing | 1.79Å | 1.79Å | |
| B6 | B3 | sing | 1.78Å | 1.78Å | |
| B6 | B4 | sing | 1.79Å | 1.79Å | |
| B11 | B5 | sing | 1.78Å | 1.78Å | |
| B11 | B9 | sing | 1.78Å | 1.78Å | |
| B11 | B12 | sing | 1.79Å | 1.79Å | |
| B11 | C1 | sing | 1.74Å | 1.74Å | |
| B5 | B12 | sing | 1.79Å | 1.79Å | |
| B9 | C1 | sing | 1.72Å | 1.72Å | |
| B8 | B3 | sing | 1.76Å | 1.76Å | |
| B8 | B2 | sing | 1.77Å | 1.77Å | |
| B8 | C1 | sing | 1.72Å | 1.72Å | |
| B3 | B2 | sing | 1.77Å | 1.77Å | |
| B3 | B4 | sing | 1.79Å | 1.79Å | |
| B12 | B2 | sing | 1.79Å | 1.79Å | |
| B12 | B4 | sing | 1.78Å | 1.78Å | |
| B12 | C1 | sing | 1.74Å | 1.74Å | |
| B2 | B4 | sing | 1.79Å | 1.79Å | |
| B2 | C1 | sing | 1.74Å | 1.74Å | |
| C1 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C27 | sing | 1.54Å | 1.54Å | |
| C27 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | S31 | sing | 1.78Å | 1.78Å | |
| S31 | O34 | doub | 1.46Å | 1.46Å | |
| S31 | O35 | doub | 1.44Å | 1.44Å | |
| S31 | N36 | sing | 1.56Å | 1.56Å | |
| C18 | H1 | sing | 1.10Å | 1.10Å | |
| C18 | H2 | sing | 1.10Å | 1.10Å | |
| C27 | H3 | sing | 1.10Å | 1.10Å | |
| C27 | H4 | sing | 1.10Å | 1.10Å | |
| C28 | H5 | sing | 1.10Å | 1.10Å | |
| C28 | H6 | sing | 1.10Å | 1.10Å | |
| N36 | H7 | sing | 1.00Å | 1.00Å | |
| N36 | H8 | sing | 1.00Å | 1.00Å | |
| B8 | B9 | sing | 1.80Å | 1.80Å | |
| B5 | B4 | sing | 1.81Å | 1.81Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| B10 | C7 | B6 | 61.8° | 61.8° |
| B10 | C7 | B9 | 62.0° | 62.0° |
| B10 | C7 | B8 | 113.8° | 113.8° |
| B10 | C7 | B3 | 113.2° | 113.2° |
| C7 | B10 | B6 | 58.9° | 58.9° |
| C7 | B10 | B11 | 104.9° | 104.9° |
| C7 | B10 | B5 | 105.5° | 105.5° |
| C7 | B10 | B9 | 58.3° | 58.3° |
| B6 | C7 | B9 | 112.5° | 112.5° |
| B6 | C7 | B8 | 112.3° | 112.3° |
| B6 | C7 | B3 | 62.0° | 62.0° |
| C7 | B6 | B10 | 59.4° | 59.4° |
| C7 | B6 | B5 | 105.9° | 105.9° |
| C7 | B6 | B3 | 59.1° | 59.1° |
| C7 | B6 | B4 | 105.9° | 105.9° |
| B9 | C7 | B8 | 63.1° | 63.1° |
| B9 | C7 | B3 | 113.4° | 113.4° |
| C7 | B9 | B10 | 59.8° | 59.8° |
| C7 | B9 | B11 | 106.2° | 106.2° |
| C7 | B9 | C1 | 102.8° | 102.8° |
| C7 | B9 | B8 | 58.5° | 58.5° |
| B8 | C7 | B3 | 61.4° | 61.4° |
| C7 | B8 | B3 | 59.7° | 59.7° |
| C7 | B8 | B2 | 106.3° | 106.3° |
| C7 | B8 | C1 | 102.6° | 102.6° |
| C7 | B8 | B9 | 58.3° | 58.3° |
| C7 | B3 | B6 | 58.9° | 58.9° |
| C7 | B3 | B8 | 58.8° | 58.8° |
| C7 | B3 | B2 | 105.5° | 105.5° |
| C7 | B3 | B4 | 105.6° | 105.6° |
| B6 | B10 | B11 | 107.5° | 107.5° |
| B6 | B10 | B5 | 60.1° | 60.1° |
| B6 | B10 | B9 | 107.1° | 107.1° |
| B10 | B6 | B5 | 60.1° | 60.1° |
| B10 | B6 | B3 | 108.8° | 108.8° |
| B10 | B6 | B4 | 108.9° | 108.9° |
| B11 | B10 | B5 | 59.9° | 59.9° |
| B11 | B10 | B9 | 59.9° | 59.9° |
| B10 | B11 | B5 | 60.1° | 60.1° |
| B10 | B11 | B9 | 59.9° | 59.9° |
| B10 | B11 | B12 | 107.9° | 107.9° |
| B10 | B11 | C1 | 105.0° | 105.0° |
| B5 | B10 | B9 | 107.8° | 107.8° |
| B10 | B5 | B6 | 59.8° | 59.8° |
| B10 | B5 | B11 | 60.0° | 60.0° |
| B10 | B5 | B12 | 107.7° | 107.7° |
| B10 | B5 | B4 | 107.9° | 107.9° |
| B10 | B9 | B11 | 60.2° | 60.2° |
| B10 | B9 | C1 | 106.2° | 106.2° |
| B10 | B9 | B8 | 108.2° | 108.2° |
| B5 | B6 | B3 | 108.8° | 108.8° |
| B5 | B6 | B4 | 60.6° | 60.6° |
| B6 | B5 | B11 | 107.3° | 107.3° |
| B6 | B5 | B12 | 106.7° | 106.7° |
| B6 | B5 | B4 | 59.7° | 59.7° |
| B3 | B6 | B4 | 60.2° | 60.2° |
| B6 | B3 | B8 | 107.8° | 107.8° |
| B6 | B3 | B2 | 107.9° | 107.9° |
| B6 | B3 | B4 | 60.0° | 60.0° |
| B6 | B4 | B3 | 59.8° | 59.8° |
| B6 | B4 | B12 | 107.2° | 107.2° |
| B6 | B4 | B2 | 107.2° | 107.2° |
| B6 | B4 | B5 | 59.7° | 59.7° |
| B5 | B11 | B9 | 107.9° | 107.9° |
| B5 | B11 | B12 | 60.2° | 60.2° |
| B5 | B11 | C1 | 105.5° | 105.5° |
| B11 | B5 | B12 | 60.1° | 60.1° |
| B11 | B5 | B4 | 107.8° | 107.8° |
| B9 | B11 | B12 | 107.3° | 107.3° |
| B9 | B11 | C1 | 58.4° | 58.4° |
| B11 | B9 | C1 | 59.7° | 59.7° |
| B11 | B9 | B8 | 108.1° | 108.1° |
| B12 | B11 | C1 | 58.8° | 58.8° |
| B11 | B12 | B5 | 59.7° | 59.7° |
| B11 | B12 | B2 | 108.5° | 108.5° |
| B11 | B12 | B4 | 108.5° | 108.5° |
| B11 | B12 | C1 | 59.1° | 59.1° |
| B11 | C1 | B9 | 61.9° | 61.9° |
| B11 | C1 | B8 | 113.7° | 113.7° |
| B11 | C1 | B12 | 62.0° | 62.0° |
| B11 | C1 | B2 | 113.2° | 113.2° |
| B11 | C1 | C18 | 120.5° | 120.5° |
| B5 | B12 | B2 | 108.6° | 108.6° |
| B5 | B12 | B4 | 60.6° | 60.6° |
| B5 | B12 | C1 | 105.4° | 105.4° |
| B12 | B5 | B4 | 59.4° | 59.4° |
| B9 | C1 | B8 | 63.1° | 63.1° |
| B9 | C1 | B12 | 112.8° | 112.8° |
| B9 | C1 | B2 | 113.4° | 113.4° |
| B9 | C1 | C18 | 123.7° | 123.7° |
| C1 | B9 | B8 | 58.4° | 58.4° |
| B3 | B8 | B2 | 60.3° | 60.3° |
| B3 | B8 | C1 | 106.3° | 106.3° |
| B8 | B3 | B2 | 60.0° | 60.0° |
| B8 | B3 | B4 | 108.1° | 108.1° |
| B3 | B8 | B9 | 108.1° | 108.1° |
| B2 | B8 | C1 | 59.9° | 59.9° |
| B8 | B2 | B3 | 59.7° | 59.7° |
| B8 | B2 | B12 | 107.7° | 107.7° |
| B8 | B2 | B4 | 108.2° | 108.2° |
| B8 | B2 | C1 | 58.6° | 58.6° |
| B2 | B8 | B9 | 108.4° | 108.4° |
| B8 | C1 | B12 | 112.6° | 112.6° |
| B8 | C1 | B2 | 61.5° | 61.5° |
| B8 | C1 | C18 | 119.5° | 119.5° |
| C1 | B8 | B9 | 58.5° | 58.5° |
| B2 | B3 | B4 | 60.1° | 60.1° |
| B3 | B2 | B12 | 107.9° | 107.9° |
| B3 | B2 | B4 | 60.5° | 60.5° |
| B3 | B2 | C1 | 104.9° | 104.9° |
| B3 | B4 | B12 | 107.4° | 107.4° |
| B3 | B4 | B2 | 59.4° | 59.4° |
| B3 | B4 | B5 | 107.7° | 107.7° |
| B2 | B12 | B4 | 60.0° | 60.0° |
| B2 | B12 | C1 | 59.1° | 59.1° |
| B12 | B2 | B4 | 59.8° | 59.8° |
| B12 | B2 | C1 | 58.9° | 58.9° |
| B4 | B12 | C1 | 105.6° | 105.6° |
| B12 | B4 | B2 | 60.2° | 60.2° |
| B12 | B4 | B5 | 60.0° | 60.0° |
| B12 | C1 | B2 | 62.0° | 62.0° |
| B12 | C1 | C18 | 115.0° | 115.0° |
| B4 | B2 | C1 | 105.2° | 105.2° |
| B2 | B4 | B5 | 108.1° | 108.1° |
| B2 | C1 | C18 | 114.2° | 114.2° |
| C1 | C18 | C27 | 114.2° | 114.2° |
| C1 | C18 | H1 | 108.3° | 108.3° |
| C1 | C18 | H2 | 108.3° | 108.3° |
| C18 | C27 | C28 | 108.6° | 108.6° |
| C27 | C18 | H1 | 108.3° | 108.3° |
| C27 | C18 | H2 | 108.3° | 108.3° |
| C18 | C27 | H3 | 109.7° | 109.7° |
| C18 | C27 | H4 | 109.7° | 109.7° |
| C27 | C28 | S31 | 110.2° | 110.2° |
| C28 | C27 | H3 | 109.7° | 109.7° |
| C28 | C27 | H4 | 109.7° | 109.7° |
| C27 | C28 | H5 | 109.3° | 109.3° |
| C27 | C28 | H6 | 109.3° | 109.3° |
| C28 | S31 | O34 | 102.0° | 102.0° |
| C28 | S31 | O35 | 109.0° | 109.0° |
| C28 | S31 | N36 | 106.5° | 106.5° |
| S31 | C28 | H5 | 109.3° | 109.3° |
| S31 | C28 | H6 | 109.3° | 109.3° |
| O34 | S31 | O35 | 116.1° | 116.1° |
| O34 | S31 | N36 | 111.9° | 111.9° |
| O35 | S31 | N36 | 110.6° | 110.6° |
| S31 | N36 | H7 | 109.5° | 109.5° |
| S31 | N36 | H8 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | N36 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| B10 | C7 | B6 | B9 | 36.9° | 36.9° |
| B10 | C7 | B6 | B8 | 105.9° | 105.9° |
| B10 | C7 | B6 | B3 | 142.3° | 142.3° |
| B10 | C7 | B9 | B8 | 141.3° | 141.3° |
| B10 | C7 | B9 | B3 | 104.8° | 104.8° |
| B10 | C7 | B8 | B3 | 104.4° | 104.4° |
| C7 | B10 | B6 | B11 | 97.1° | 97.1° |
| C7 | B10 | B6 | B5 | 135.0° | 135.0° |
| C7 | B10 | B11 | B5 | 99.5° | 99.5° |
| C7 | B10 | B11 | B9 | 38.5° | 38.5° |
| C7 | B10 | B5 | B9 | 61.0° | 61.0° |
| B10 | C7 | B6 | B4 | 102.9° | 102.9° |
| C7 | B10 | B11 | B12 | 61.6° | 61.6° |
| C7 | B10 | B11 | C1 | 0.0° | 0.0° |
| C7 | B10 | B5 | B12 | 60.5° | 60.5° |
| B10 | C7 | B9 | C1 | 101.5° | 101.5° |
| B10 | C7 | B8 | B2 | 64.8° | 64.8° |
| B10 | C7 | B8 | C1 | 2.8° | 2.8° |
| B10 | C7 | B3 | B2 | 66.1° | 66.1° |
| B10 | C7 | B3 | B4 | 3.4° | 3.4° |
| C7 | B10 | B5 | B4 | 2.2° | 2.2° |
| B6 | C7 | B9 | B8 | 104.6° | 104.6° |
| B6 | C7 | B9 | B3 | 68.0° | 68.0° |
| B6 | C7 | B8 | B3 | 36.7° | 36.7° |
| C7 | B6 | B5 | B3 | 62.2° | 62.2° |
| C7 | B6 | B5 | B4 | 99.6° | 99.6° |
| C7 | B6 | B3 | B4 | 135.3° | 135.3° |
| C7 | B6 | B5 | B11 | 1.3° | 1.3° |
| B6 | C7 | B9 | B11 | 3.0° | 3.0° |
| C7 | B6 | B5 | B12 | 61.9° | 61.9° |
| B6 | C7 | B9 | C1 | 64.7° | 64.7° |
| B6 | C7 | B8 | B2 | 3.0° | 3.0° |
| B6 | C7 | B8 | C1 | 65.0° | 65.0° |
| B6 | C7 | B3 | B2 | 101.9° | 101.9° |
| C7 | B6 | B4 | B12 | 61.6° | 61.6° |
| C7 | B6 | B4 | B2 | 1.7° | 1.7° |
| B9 | C7 | B8 | B3 | 141.5° | 141.5° |
| B9 | C7 | B6 | B5 | 2.7° | 2.7° |
| B9 | C7 | B6 | B4 | 66.0° | 66.0° |
| C7 | B9 | B11 | B5 | 2.0° | 2.0° |
| C7 | B9 | B11 | C1 | 95.5° | 95.5° |
| C7 | B9 | B11 | B8 | 61.5° | 61.5° |
| C7 | B9 | B11 | B12 | 61.5° | 61.5° |
| C7 | B9 | C1 | B8 | 39.9° | 39.9° |
| B9 | C7 | B8 | B2 | 101.8° | 101.8° |
| B9 | C7 | B3 | B2 | 2.1° | 2.1° |
| B9 | C7 | B3 | B4 | 64.7° | 64.7° |
| C7 | B9 | C1 | B12 | 64.8° | 64.8° |
| C7 | B9 | C1 | B2 | 3.3° | 3.3° |
| C7 | B9 | C1 | C18 | 148.9° | 148.9° |
| B8 | C7 | B10 | B11 | 1.8° | 1.8° |
| B8 | C7 | B10 | B5 | 64.1° | 64.1° |
| B8 | C7 | B6 | B5 | 66.3° | 66.3° |
| B8 | C7 | B6 | B4 | 3.0° | 3.0° |
| C7 | B8 | C1 | B11 | 2.8° | 2.8° |
| C7 | B8 | B3 | B2 | 135.1° | 135.1° |
| C7 | B8 | B3 | C1 | 95.4° | 95.4° |
| C7 | B8 | B2 | C1 | 95.4° | 95.4° |
| B8 | C7 | B3 | B4 | 102.0° | 102.0° |
| C7 | B8 | B2 | B12 | 61.4° | 61.4° |
| C7 | B8 | C1 | B12 | 65.3° | 65.3° |
| C7 | B8 | B2 | B4 | 1.8° | 1.8° |
| C7 | B8 | C1 | C18 | 155.1° | 155.1° |
| B3 | C7 | B10 | B11 | 65.9° | 65.9° |
| B3 | C7 | B10 | B5 | 3.6° | 3.6° |
| B3 | C7 | B9 | B11 | 65.0° | 65.0° |
| B3 | C7 | B9 | C1 | 3.3° | 3.3° |
| C7 | B3 | B2 | B4 | 99.4° | 99.4° |
| C7 | B3 | B2 | B12 | 61.6° | 61.6° |
| C7 | B3 | B4 | B12 | 61.3° | 61.3° |
| C7 | B3 | B2 | C1 | 0.0° | 0.0° |
| C7 | B3 | B4 | B5 | 1.9° | 1.9° |
| B6 | B10 | B11 | B5 | 38.0° | 38.0° |
| B6 | B10 | B11 | B9 | 100.0° | 100.0° |
| B6 | B10 | B5 | B9 | 99.9° | 99.9° |
| B10 | B6 | B5 | B3 | 101.4° | 101.4° |
| B10 | B6 | B5 | B4 | 138.8° | 138.8° |
| B10 | B6 | B3 | B4 | 101.5° | 101.5° |
| B6 | B10 | B11 | B12 | 0.1° | 0.1° |
| B6 | B10 | B11 | C1 | 61.5° | 61.5° |
| B6 | B10 | B5 | B12 | 99.4° | 99.4° |
| B6 | B10 | B9 | C1 | 61.3° | 61.3° |
| B10 | B6 | B3 | B8 | 0.5° | 0.5° |
| B10 | B6 | B3 | B2 | 63.8° | 63.8° |
| B10 | B6 | B4 | B12 | 0.9° | 0.9° |
| B10 | B6 | B4 | B2 | 64.2° | 64.2° |
| B6 | B10 | B9 | B8 | 0.1° | 0.1° |
| B11 | B10 | B5 | B9 | 37.4° | 37.4° |
| B11 | B10 | B6 | B3 | 63.5° | 63.5° |
| B11 | B10 | B6 | B4 | 0.6° | 0.6° |
| B10 | B11 | B5 | B12 | 137.5° | 137.5° |
| B10 | B11 | B5 | C1 | 98.6° | 98.6° |
| B10 | B11 | B9 | B12 | 101.0° | 101.0° |
| B10 | B11 | B9 | C1 | 135.1° | 135.1° |
| B10 | B11 | B12 | C1 | 97.0° | 97.0° |
| B10 | B11 | C1 | B8 | 1.8° | 1.8° |
| B10 | B11 | B12 | B2 | 63.2° | 63.2° |
| B10 | B11 | B12 | B4 | 0.5° | 0.5° |
| B10 | B11 | C1 | B2 | 65.9° | 65.9° |
| B10 | B11 | C1 | C18 | 153.8° | 153.8° |
| B10 | B11 | B9 | B8 | 101.1° | 101.1° |
| B11 | B10 | B5 | B4 | 100.6° | 100.6° |
| B10 | B5 | B12 | B4 | 100.7° | 100.7° |
| B5 | B10 | B9 | C1 | 2.0° | 2.0° |
| B10 | B5 | B4 | B3 | 0.2° | 0.2° |
| B10 | B5 | B12 | B2 | 63.2° | 63.2° |
| B10 | B5 | B12 | C1 | 1.2° | 1.2° |
| B10 | B5 | B4 | B2 | 63.0° | 63.0° |
| B5 | B10 | B9 | B8 | 63.4° | 63.4° |
| B9 | B10 | B6 | B3 | 0.4° | 0.4° |
| B9 | B10 | B6 | B4 | 63.7° | 63.7° |
| B9 | B10 | B5 | B12 | 0.5° | 0.5° |
| B10 | B9 | C1 | B8 | 101.7° | 101.7° |
| B10 | B9 | B8 | B3 | 0.2° | 0.2° |
| B10 | B9 | B8 | B2 | 63.6° | 63.6° |
| B10 | B9 | C1 | B12 | 2.9° | 2.9° |
| B10 | B9 | C1 | B2 | 65.1° | 65.1° |
| B10 | B9 | C1 | C18 | 149.3° | 149.3° |
| B9 | B10 | B5 | B4 | 63.2° | 63.2° |
| B5 | B6 | B3 | B4 | 37.6° | 37.6° |
| B6 | B5 | B11 | B12 | 99.7° | 99.7° |
| B6 | B5 | B11 | B4 | 62.9° | 62.9° |
| B6 | B5 | B11 | B9 | 0.4° | 0.4° |
| B6 | B5 | B11 | C1 | 60.8° | 60.8° |
| B6 | B5 | B12 | B4 | 37.8° | 37.8° |
| B5 | B6 | B3 | B8 | 63.4° | 63.4° |
| B5 | B6 | B3 | B2 | 0.1° | 0.1° |
| B6 | B5 | B12 | B2 | 0.3° | 0.3° |
| B6 | B5 | B12 | C1 | 61.7° | 61.7° |
| B6 | B5 | B4 | B2 | 99.7° | 99.7° |
| B3 | B6 | B5 | B11 | 63.4° | 63.4° |
| B3 | B6 | B5 | B12 | 0.3° | 0.3° |
| B6 | B3 | B8 | B2 | 100.9° | 100.9° |
| B6 | B3 | B8 | B4 | 63.4° | 63.4° |
| B6 | B3 | B8 | C1 | 61.1° | 61.1° |
| B6 | B3 | B2 | B4 | 37.6° | 37.6° |
| B6 | B3 | B2 | B12 | 0.1° | 0.1° |
| B6 | B3 | B4 | B12 | 100.1° | 100.1° |
| B6 | B3 | B2 | C1 | 61.7° | 61.7° |
| B6 | B3 | B8 | B9 | 0.4° | 0.4° |
| B6 | B4 | B12 | B11 | 0.9° | 0.9° |
| B6 | B4 | B2 | B8 | 0.0° | 0.0° |
| B6 | B4 | B2 | B12 | 100.3° | 100.3° |
| B6 | B4 | B12 | C1 | 61.2° | 61.2° |
| B6 | B4 | B2 | C1 | 61.4° | 61.4° |
| B5 | B11 | B9 | B12 | 63.5° | 63.5° |
| B5 | B11 | B9 | C1 | 97.5° | 97.5° |
| B5 | B11 | B12 | C1 | 135.0° | 135.0° |
| B11 | B5 | B12 | B4 | 138.5° | 138.5° |
| B5 | B11 | C1 | B8 | 64.4° | 64.4° |
| B11 | B5 | B4 | B3 | 63.1° | 63.1° |
| B5 | B11 | B12 | B2 | 101.1° | 101.1° |
| B11 | B5 | B4 | B2 | 0.4° | 0.4° |
| B5 | B11 | C1 | B2 | 3.4° | 3.4° |
| B5 | B11 | C1 | C18 | 143.7° | 143.7° |
| B5 | B11 | B9 | B8 | 63.5° | 63.5° |
| B9 | B11 | B12 | C1 | 33.9° | 33.9° |
| B11 | B9 | C1 | B8 | 141.4° | 141.4° |
| B11 | B9 | B8 | B3 | 63.9° | 63.9° |
| B11 | B9 | B8 | B2 | 0.1° | 0.1° |
| B9 | B11 | B12 | B2 | 0.0° | 0.0° |
| B9 | B11 | B12 | B4 | 63.6° | 63.6° |
| B11 | B9 | C1 | B2 | 104.8° | 104.8° |
| B9 | B11 | C1 | C18 | 114.6° | 114.6° |
| B9 | B11 | B5 | B4 | 63.4° | 63.4° |
| B11 | B12 | B2 | B8 | 0.0° | 0.0° |
| B11 | B12 | C1 | B8 | 105.8° | 105.8° |
| B11 | B12 | B2 | B3 | 63.0° | 63.0° |
| B11 | B12 | B4 | B3 | 63.8° | 63.8° |
| B11 | B12 | B2 | B4 | 101.1° | 101.1° |
| B11 | B12 | B2 | C1 | 33.8° | 33.8° |
| B11 | B12 | B4 | C1 | 62.1° | 62.1° |
| B12 | B11 | C1 | C18 | 104.1° | 104.1° |
| B12 | B11 | B9 | B8 | 0.1° | 0.1° |
| B11 | C1 | B8 | B3 | 64.6° | 64.6° |
| B11 | C1 | B2 | B8 | 105.4° | 105.4° |
| B11 | C1 | B8 | C18 | 152.3° | 152.3° |
| B11 | C1 | B2 | B3 | 66.0° | 66.0° |
| B11 | C1 | B2 | B4 | 3.1° | 3.1° |
| B11 | C1 | B2 | C18 | 142.9° | 142.9° |
| B11 | C1 | C18 | C27 | 81.0° | 81.0° |
| B11 | C1 | C18 | H1 | 158.3° | 158.3° |
| B11 | C1 | C18 | H2 | 39.7° | 39.7° |
| C1 | B11 | B5 | B4 | 2.2° | 2.2° |
| B5 | B12 | C1 | B9 | 2.6° | 2.6° |
| B5 | B12 | B2 | B8 | 63.4° | 63.4° |
| B5 | B12 | C1 | B8 | 66.5° | 66.5° |
| B5 | B12 | B2 | B3 | 0.3° | 0.3° |
| B5 | B12 | B4 | B3 | 100.8° | 100.8° |
| B5 | B12 | B2 | B4 | 37.8° | 37.8° |
| B5 | B12 | B2 | C1 | 97.2° | 97.2° |
| B5 | B12 | B4 | C1 | 99.1° | 99.1° |
| B5 | B12 | C1 | C18 | 152.0° | 152.0° |
| C1 | B9 | B8 | B3 | 98.4° | 98.4° |
| C1 | B9 | B8 | B2 | 34.6° | 34.6° |
| B9 | C1 | B8 | B12 | 105.1° | 105.1° |
| B9 | C1 | B8 | C18 | 115.3° | 115.3° |
| B9 | C1 | B2 | B3 | 2.2° | 2.2° |
| B9 | C1 | B2 | B12 | 104.4° | 104.4° |
| B9 | C1 | B12 | B4 | 65.8° | 65.8° |
| B9 | C1 | B12 | C18 | 149.4° | 149.4° |
| B9 | C1 | B2 | B4 | 65.0° | 65.0° |
| B9 | C1 | B2 | C18 | 149.0° | 149.0° |
| B9 | C1 | C18 | C27 | 6.3° | 6.3° |
| B9 | C1 | C18 | H1 | 127.0° | 127.0° |
| B9 | C1 | C18 | H2 | 114.4° | 114.4° |
| B3 | B8 | B2 | C1 | 134.8° | 134.8° |
| B3 | B8 | B2 | B9 | 100.8° | 100.8° |
| B8 | B3 | B2 | B4 | 138.2° | 138.2° |
| B8 | B3 | B2 | B12 | 100.4° | 100.4° |
| B8 | B3 | B4 | B12 | 0.4° | 0.4° |
| B3 | B8 | C1 | B12 | 3.5° | 3.5° |
| B3 | B8 | C1 | C18 | 143.2° | 143.2° |
| B8 | B3 | B4 | B5 | 63.6° | 63.6° |
| B8 | B2 | B12 | B4 | 101.1° | 101.1° |
| B8 | B2 | B12 | C1 | 33.8° | 33.8° |
| B8 | B2 | B4 | C1 | 61.4° | 61.4° |
| B2 | B8 | C1 | C18 | 103.2° | 103.2° |
| B8 | B2 | B4 | B5 | 63.0° | 63.0° |
| C1 | B8 | B3 | B4 | 2.3° | 2.3° |
| B8 | C1 | B12 | B4 | 3.3° | 3.3° |
| B8 | C1 | B12 | C18 | 141.5° | 141.5° |
| B8 | C1 | C18 | C27 | 69.4° | 69.4° |
| B8 | C1 | C18 | H1 | 51.4° | 51.4° |
| B8 | C1 | C18 | H2 | 170.0° | 170.0° |
| B3 | B2 | B12 | B4 | 38.0° | 38.0° |
| B3 | B2 | B12 | C1 | 96.9° | 96.9° |
| B3 | B2 | B4 | C1 | 98.7° | 98.7° |
| B3 | B2 | C1 | C18 | 151.1° | 151.1° |
| B3 | B2 | B4 | B5 | 100.3° | 100.3° |
| B3 | B4 | B12 | C1 | 1.7° | 1.7° |
| B4 | B3 | B8 | B9 | 63.8° | 63.8° |
| B2 | B12 | B4 | C1 | 39.1° | 39.1° |
| B2 | B12 | C1 | C18 | 105.3° | 105.3° |
| B12 | B2 | B8 | B9 | 0.1° | 0.1° |
| B4 | B12 | C1 | C18 | 144.8° | 144.8° |
| B12 | C1 | C18 | C27 | 152.0° | 152.0° |
| B12 | C1 | C18 | H1 | 87.3° | 87.3° |
| B12 | C1 | C18 | H2 | 31.3° | 31.3° |
| B4 | B2 | C1 | C18 | 146.0° | 146.0° |
| B4 | B2 | B8 | B9 | 63.1° | 63.1° |
| B2 | C1 | C18 | C27 | 139.1° | 139.1° |
| B2 | C1 | C18 | H1 | 18.3° | 18.3° |
| B2 | C1 | C18 | H2 | 100.2° | 100.2° |
| C1 | B2 | B4 | B5 | 1.6° | 1.6° |
| C1 | C18 | C27 | H1 | 120.7° | 120.7° |
| C1 | C18 | C27 | H2 | 120.7° | 120.7° |
| C1 | C18 | C27 | C28 | 74.4° | 74.4° |
| C1 | C18 | H1 | H2 | 117.8° | 117.8° |
| C1 | C18 | C27 | H3 | 45.5° | 45.5° |
| C1 | C18 | C27 | H4 | 165.7° | 165.7° |
| C18 | C27 | C28 | H3 | 119.9° | 119.9° |
| C18 | C27 | C28 | H4 | 119.9° | 119.9° |
| C18 | C27 | C28 | S31 | 165.2° | 165.2° |
| C27 | C18 | H1 | H2 | 117.8° | 117.8° |
| C18 | C27 | H3 | H4 | 120.4° | 120.4° |
| C18 | C27 | C28 | H5 | 45.1° | 45.1° |
| C18 | C27 | C28 | H6 | 74.7° | 74.7° |
| C27 | C28 | S31 | H5 | 120.1° | 120.1° |
| C27 | C28 | S31 | H6 | 120.1° | 120.1° |
| C27 | C28 | S31 | O34 | 176.8° | 176.8° |
| C27 | C28 | S31 | O35 | 59.9° | 59.9° |
| C27 | C28 | S31 | N36 | 59.4° | 59.4° |
| C28 | C27 | C18 | H1 | 164.9° | 164.9° |
| C28 | C27 | C18 | H2 | 46.3° | 46.3° |
| C28 | C27 | H3 | H4 | 120.4° | 120.4° |
| C27 | C28 | H5 | H6 | 119.7° | 119.7° |
| C28 | S31 | O34 | O35 | 118.3° | 118.3° |
| C28 | S31 | O34 | N36 | 113.5° | 113.5° |
| C28 | S31 | O35 | N36 | 116.7° | 116.7° |
| S31 | C28 | C27 | H3 | 74.9° | 74.9° |
| S31 | C28 | C27 | H4 | 45.3° | 45.3° |
| S31 | C28 | H5 | H6 | 119.7° | 119.7° |
| C28 | S31 | N36 | H7 | 180.0° | 180.0° |
| C28 | S31 | N36 | H8 | 60.0° | 60.0° |
| O34 | S31 | O35 | N36 | 128.8° | 128.8° |
| O34 | S31 | C28 | H5 | 56.8° | 56.8° |
| O34 | S31 | C28 | H6 | 63.1° | 63.1° |
| O34 | S31 | N36 | H7 | 69.3° | 69.3° |
| O34 | S31 | N36 | H8 | 170.7° | 170.7° |
| O35 | S31 | C28 | H5 | 179.9° | 179.9° |
| O35 | S31 | C28 | H6 | 60.2° | 60.2° |
| O35 | S31 | N36 | H7 | 61.8° | 61.8° |
| O35 | S31 | N36 | H8 | 58.2° | 58.2° |
| N36 | S31 | C28 | H5 | 60.6° | 60.6° |
| N36 | S31 | C28 | H6 | 179.5° | 179.5° |
| S31 | N36 | H7 | H8 | 120.0° | 120.0° |
| H1 | C18 | C27 | H3 | 75.2° | 75.3° |
| H1 | C18 | C27 | H4 | 45.0° | 45.0° |
| H2 | C18 | C27 | H3 | 166.2° | 166.2° |
| H2 | C18 | C27 | H4 | 73.6° | 73.6° |
| H3 | C27 | C28 | H5 | 165.0° | 165.0° |
| H3 | C27 | C28 | H6 | 45.1° | 45.1° |
| H4 | C27 | C28 | H5 | 74.8° | 74.8° |
| H4 | C27 | C28 | H6 | 165.4° | 165.4° |
