P6Q
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 | 1.72Å | 1.72Å | |
| C7 | B9 | sing | 1.74Å | 1.74Å | |
| C7 | B8 | sing | 1.70Å | 1.70Å | |
| C7 | B3 | sing | 1.71Å | 1.71Å | |
| B10 | B11 | sing | 1.76Å | 1.76Å | |
| B10 | B9 | sing | 1.77Å | 1.77Å | |
| B6 | B5 | sing | 1.77Å | 1.77Å | |
| B6 | B3 | sing | 1.77Å | 1.77Å | |
| B11 | B5 | sing | 1.76Å | 1.76Å | |
| B11 | B9 | sing | 1.78Å | 1.78Å | |
| B11 | B12 | sing | 1.79Å | 1.79Å | |
| B5 | B12 | sing | 1.78Å | 1.78Å | |
| B5 | B4 | sing | 1.77Å | 1.77Å | |
| B9 | C1 | sing | 1.74Å | 1.74Å | |
| B8 | B3 | sing | 1.78Å | 1.78Å | |
| B8 | B2 | sing | 1.78Å | 1.78Å | |
| B8 | C1 | sing | 1.69Å | 1.69Å | |
| B3 | B4 | sing | 1.77Å | 1.77Å | |
| B12 | B2 | sing | 1.78Å | 1.78Å | |
| B12 | B4 | sing | 1.78Å | 1.78Å | |
| B12 | C1 | sing | 1.74Å | 1.74Å | |
| B2 | C1 | sing | 1.70Å | 1.70Å | |
| C1 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C27 | sing | 1.54Å | 1.54Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | S31 | sing | 1.77Å | 1.77Å | |
| S31 | O34 | doub | 1.48Å | 1.48Å | |
| S31 | O35 | doub | 1.44Å | 1.44Å | |
| S31 | N36 | sing | 1.58Å | 1.58Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| B10 | C7 | B6 | 63.1° | 63.1° |
| B10 | C7 | B9 | 61.3° | 61.3° |
| B10 | C7 | B8 | 114.1° | 114.1° |
| B10 | C7 | B3 | 114.3° | 114.3° |
| C7 | B10 | B11 | 104.6° | 104.6° |
| C7 | B10 | B9 | 59.5° | 59.5° |
| B6 | C7 | B9 | 113.9° | 113.9° |
| B6 | C7 | B8 | 114.3° | 114.3° |
| B6 | C7 | B3 | 62.0° | 62.0° |
| C7 | B6 | B5 | 104.6° | 104.6° |
| C7 | B6 | B3 | 58.7° | 58.7° |
| B9 | C7 | B8 | 63.4° | 63.4° |
| B9 | C7 | B3 | 115.0° | 115.0° |
| C7 | B9 | B10 | 59.3° | 59.3° |
| C7 | B9 | B11 | 103.8° | 103.8° |
| C7 | B9 | C1 | 99.7° | 99.7° |
| B8 | C7 | B3 | 62.9° | 62.9° |
| C7 | B8 | B3 | 58.9° | 58.9° |
| C7 | B8 | B2 | 106.4° | 106.4° |
| C7 | B8 | C1 | 103.5° | 103.5° |
| C7 | B3 | B6 | 59.3° | 59.3° |
| C7 | B3 | B8 | 58.2° | 58.2° |
| C7 | B3 | B4 | 106.1° | 106.1° |
| B11 | B10 | B9 | 60.5° | 60.5° |
| B10 | B11 | B5 | 61.4° | 61.4° |
| B10 | B11 | B9 | 60.1° | 60.1° |
| B10 | B11 | B12 | 109.5° | 109.5° |
| B10 | B9 | B11 | 59.4° | 59.4° |
| B10 | B9 | C1 | 106.0° | 106.0° |
| B5 | B6 | B3 | 107.1° | 107.1° |
| B6 | B5 | B11 | 108.7° | 108.7° |
| B6 | B5 | B12 | 108.7° | 108.7° |
| B6 | B5 | B4 | 61.0° | 61.0° |
| B6 | B3 | B8 | 108.1° | 108.1° |
| B6 | B3 | B4 | 61.0° | 61.0° |
| B5 | B11 | B9 | 108.8° | 108.8° |
| B5 | B11 | B12 | 60.1° | 60.1° |
| B11 | B5 | B12 | 60.9° | 60.9° |
| B11 | B5 | B4 | 109.4° | 109.4° |
| B9 | B11 | B12 | 108.1° | 108.1° |
| B11 | B9 | C1 | 60.6° | 60.6° |
| B11 | B12 | B5 | 59.0° | 59.0° |
| B11 | B12 | B2 | 108.6° | 108.6° |
| B11 | B12 | B4 | 107.6° | 107.6° |
| B11 | B12 | C1 | 60.4° | 60.4° |
| B12 | B5 | B4 | 60.0° | 60.0° |
| B5 | B12 | B2 | 108.3° | 108.3° |
| B5 | B12 | B4 | 59.7° | 59.7° |
| B5 | B12 | C1 | 105.1° | 105.1° |
| B5 | B4 | B3 | 106.9° | 106.9° |
| B5 | B4 | B12 | 60.3° | 60.3° |
| B9 | C1 | B8 | 63.6° | 63.6° |
| B9 | C1 | B12 | 112.7° | 112.7° |
| B9 | C1 | B2 | 115.8° | 115.8° |
| B9 | C1 | C18 | 123.2° | 123.2° |
| B3 | B8 | B2 | 60.6° | 60.6° |
| B3 | B8 | C1 | 105.5° | 105.5° |
| B8 | B3 | B4 | 108.4° | 108.4° |
| B2 | B8 | C1 | 58.7° | 58.7° |
| B8 | B2 | B12 | 107.4° | 107.4° |
| B8 | B2 | C1 | 58.2° | 58.2° |
| B8 | C1 | B12 | 113.4° | 113.4° |
| B8 | C1 | B2 | 63.1° | 63.1° |
| B8 | C1 | C18 | 117.6° | 117.6° |
| B3 | B4 | B12 | 107.5° | 107.5° |
| B2 | B12 | B4 | 61.1° | 61.1° |
| B2 | B12 | C1 | 57.9° | 57.9° |
| B12 | B2 | C1 | 59.7° | 59.7° |
| B4 | B12 | C1 | 105.2° | 105.2° |
| B12 | C1 | B2 | 62.4° | 62.4° |
| B12 | C1 | C18 | 115.9° | 115.9° |
| B2 | C1 | C18 | 111.7° | 111.7° |
| C1 | C18 | C27 | 120.7° | 120.7° |
| C1 | C18 | H1 | 106.6° | 106.6° |
| C1 | C18 | H2 | 106.6° | 106.6° |
| C18 | C27 | C28 | 111.9° | 111.9° |
| C27 | C18 | H1 | 106.6° | 106.6° |
| C27 | C18 | H2 | 106.6° | 106.6° |
| C18 | C27 | H3 | 108.9° | 108.9° |
| C18 | C27 | H4 | 108.8° | 108.9° |
| C27 | C28 | S31 | 113.0° | 113.0° |
| C28 | C27 | H3 | 108.8° | 108.8° |
| C28 | C27 | H4 | 108.9° | 108.8° |
| C27 | C28 | H5 | 108.6° | 108.6° |
| C27 | C28 | H6 | 108.6° | 108.6° |
| C28 | S31 | O34 | 104.1° | 104.1° |
| C28 | S31 | O35 | 107.6° | 107.6° |
| C28 | S31 | N36 | 107.0° | 107.0° |
| S31 | C28 | H5 | 108.6° | 108.6° |
| S31 | C28 | H6 | 108.6° | 108.6° |
| O34 | S31 | O35 | 116.2° | 116.2° |
| O34 | S31 | N36 | 110.7° | 110.7° |
| O35 | S31 | N36 | 110.7° | 110.7° |
| S31 | N36 | H7 | 109.5° | 109.5° |
| S31 | N36 | H8 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.4° | 109.4° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | N36 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| B10 | C7 | B6 | B9 | 35.6° | 35.6° |
| B10 | C7 | B6 | B8 | 105.9° | 105.9° |
| B10 | C7 | B6 | B3 | 142.3° | 142.3° |
| B10 | C7 | B9 | B8 | 142.6° | 142.6° |
| B10 | C7 | B9 | B3 | 105.2° | 105.2° |
| B10 | C7 | B8 | B3 | 106.1° | 106.1° |
| C7 | B10 | B11 | B9 | 41.2° | 41.2° |
| B10 | C7 | B6 | B5 | 40.9° | 40.9° |
| C7 | B10 | B11 | B5 | 96.2° | 96.2° |
| C7 | B10 | B11 | B12 | 58.9° | 58.9° |
| B10 | C7 | B9 | C1 | 103.0° | 103.0° |
| B10 | C7 | B8 | B2 | 66.9° | 66.9° |
| B10 | C7 | B8 | C1 | 6.0° | 6.0° |
| B10 | C7 | B3 | B4 | 3.9° | 3.9° |
| B6 | C7 | B9 | B8 | 106.3° | 106.3° |
| B6 | C7 | B9 | B3 | 68.9° | 68.9° |
| B6 | C7 | B8 | B3 | 36.1° | 36.1° |
| B6 | C7 | B10 | B11 | 100.9° | 100.9° |
| C7 | B6 | B5 | B3 | 61.2° | 61.2° |
| C7 | B6 | B5 | B11 | 3.7° | 3.7° |
| B6 | C7 | B9 | B11 | 4.8° | 4.8° |
| C7 | B6 | B5 | B12 | 60.9° | 60.9° |
| C7 | B6 | B5 | B4 | 98.6° | 98.6° |
| B6 | C7 | B9 | C1 | 66.7° | 66.7° |
| B6 | C7 | B8 | B2 | 3.2° | 3.2° |
| B6 | C7 | B8 | C1 | 64.1° | 64.1° |
| B6 | C7 | B3 | B4 | 40.7° | 40.7° |
| B9 | C7 | B8 | B3 | 141.8° | 141.8° |
| B9 | C7 | B6 | B5 | 5.4° | 5.4° |
| C7 | B9 | B11 | B5 | 2.1° | 2.1° |
| C7 | B9 | B11 | C1 | 93.5° | 93.5° |
| C7 | B9 | B11 | B12 | 61.6° | 61.6° |
| B9 | C7 | B8 | B2 | 102.5° | 102.5° |
| B9 | C7 | B8 | C1 | 41.6° | 41.6° |
| B9 | C7 | B3 | B4 | 64.3° | 64.3° |
| C7 | B9 | C1 | B12 | 66.2° | 66.2° |
| C7 | B9 | C1 | B2 | 3.0° | 3.0° |
| C7 | B9 | C1 | C18 | 146.8° | 146.8° |
| B8 | C7 | B10 | B11 | 5.3° | 5.3° |
| B8 | C7 | B6 | B5 | 64.9° | 64.9° |
| B8 | C7 | B9 | B11 | 101.6° | 101.6° |
| C7 | B8 | B3 | B2 | 135.9° | 135.9° |
| C7 | B8 | B3 | C1 | 96.6° | 96.6° |
| C7 | B8 | B2 | C1 | 96.0° | 96.0° |
| B8 | C7 | B3 | B4 | 101.9° | 101.9° |
| C7 | B8 | B2 | B12 | 60.6° | 60.6° |
| C7 | B8 | C1 | B12 | 63.0° | 63.0° |
| C7 | B8 | C1 | C18 | 157.2° | 157.2° |
| B3 | C7 | B10 | B11 | 64.6° | 64.6° |
| B3 | C7 | B9 | B11 | 64.1° | 64.1° |
| C7 | B3 | B4 | B5 | 2.6° | 2.6° |
| B3 | C7 | B9 | C1 | 2.2° | 2.2° |
| C7 | B3 | B4 | B12 | 60.9° | 60.9° |
| B10 | B11 | B5 | B6 | 37.3° | 37.3° |
| B10 | B11 | B5 | B9 | 38.3° | 38.3° |
| B10 | B11 | B5 | B12 | 138.8° | 138.8° |
| B10 | B11 | B9 | B12 | 102.6° | 102.6° |
| B10 | B11 | B5 | B4 | 102.2° | 102.2° |
| B11 | B10 | B9 | C1 | 40.3° | 40.3° |
| B10 | B11 | B12 | B2 | 62.8° | 62.8° |
| B10 | B11 | B12 | B4 | 1.9° | 1.9° |
| B10 | B11 | B12 | C1 | 95.9° | 95.9° |
| B10 | B9 | C1 | B8 | 100.3° | 100.3° |
| B10 | B9 | C1 | B12 | 5.5° | 5.5° |
| B10 | B9 | C1 | B2 | 63.6° | 63.6° |
| B10 | B9 | C1 | C18 | 152.6° | 152.6° |
| B6 | B5 | B11 | B12 | 101.5° | 101.5° |
| B6 | B5 | B11 | B4 | 65.0° | 65.0° |
| B6 | B5 | B11 | B9 | 1.0° | 1.0° |
| B6 | B5 | B12 | B4 | 38.1° | 38.1° |
| B5 | B6 | B3 | B8 | 64.1° | 64.1° |
| B5 | B6 | B3 | B4 | 37.3° | 37.3° |
| B6 | B5 | B12 | B2 | 0.3° | 0.3° |
| B6 | B5 | B12 | C1 | 60.9° | 60.9° |
| B3 | B6 | B5 | B11 | 64.9° | 64.9° |
| B3 | B6 | B5 | B12 | 0.2° | 0.2° |
| B6 | B3 | B8 | B4 | 64.6° | 64.6° |
| B6 | B3 | B8 | B2 | 102.5° | 102.5° |
| B6 | B3 | B8 | C1 | 63.3° | 63.3° |
| B6 | B3 | B4 | B12 | 100.8° | 100.8° |
| B5 | B11 | B9 | B12 | 63.8° | 63.8° |
| B11 | B5 | B12 | B4 | 139.6° | 139.6° |
| B5 | B11 | B9 | C1 | 95.6° | 95.6° |
| B11 | B5 | B4 | B3 | 64.0° | 64.0° |
| B5 | B11 | B12 | B2 | 100.6° | 100.6° |
| B5 | B11 | B12 | C1 | 133.7° | 133.7° |
| B9 | B11 | B5 | B4 | 64.0° | 64.0° |
| B11 | B9 | C1 | B8 | 140.1° | 140.1° |
| B9 | B11 | B12 | B2 | 1.1° | 1.1° |
| B9 | B11 | B12 | B4 | 65.8° | 65.8° |
| B9 | B11 | B12 | C1 | 32.0° | 32.0° |
| B11 | B9 | C1 | B2 | 103.4° | 103.4° |
| B11 | B9 | C1 | C18 | 112.8° | 112.8° |
| B11 | B12 | B2 | B8 | 0.6° | 0.6° |
| B11 | B12 | C1 | B8 | 103.8° | 103.8° |
| B11 | B12 | B4 | B3 | 64.1° | 64.1° |
| B11 | B12 | B2 | B4 | 100.3° | 100.3° |
| B11 | B12 | B2 | C1 | 34.1° | 34.1° |
| B11 | B12 | B4 | C1 | 63.2° | 63.2° |
| B11 | B12 | C1 | C18 | 115.6° | 115.6° |
| B5 | B12 | C1 | B9 | 5.9° | 5.9° |
| B5 | B12 | B2 | B8 | 61.9° | 61.9° |
| B5 | B12 | C1 | B8 | 63.9° | 63.9° |
| B5 | B12 | B4 | B3 | 99.8° | 99.8° |
| B5 | B12 | B2 | B4 | 37.8° | 37.8° |
| B5 | B12 | B2 | C1 | 96.7° | 96.7° |
| B5 | B12 | B4 | C1 | 98.9° | 98.9° |
| B5 | B12 | C1 | C18 | 155.5° | 155.5° |
| B5 | B4 | B3 | B8 | 63.7° | 63.7° |
| B9 | C1 | B8 | B3 | 102.7° | 102.7° |
| B9 | C1 | B2 | B8 | 36.9° | 36.9° |
| B9 | C1 | B8 | B12 | 104.7° | 104.7° |
| B9 | C1 | B8 | C18 | 115.5° | 115.5° |
| B9 | C1 | B2 | B12 | 103.3° | 103.3° |
| B9 | C1 | B12 | B4 | 68.0° | 68.0° |
| B9 | C1 | B12 | C18 | 149.6° | 149.6° |
| B9 | C1 | B2 | C18 | 147.9° | 147.9° |
| B9 | C1 | C18 | C27 | 64.4° | 64.4° |
| B9 | C1 | C18 | H1 | 57.2° | 57.2° |
| B9 | C1 | C18 | H2 | 174.0° | 174.0° |
| B3 | B8 | B2 | C1 | 134.5° | 134.5° |
| B3 | B8 | B2 | B12 | 99.0° | 99.0° |
| B8 | B3 | B4 | B12 | 0.2° | 0.2° |
| B3 | B8 | C1 | B12 | 2.0° | 2.0° |
| B3 | B8 | C1 | C18 | 141.8° | 141.8° |
| B2 | B8 | B3 | B4 | 38.0° | 38.0° |
| B8 | B2 | B12 | C1 | 34.8° | 34.8° |
| B8 | B2 | B12 | B4 | 99.7° | 99.7° |
| B2 | B8 | C1 | C18 | 101.6° | 101.6° |
| C1 | B8 | B3 | B4 | 1.3° | 1.3° |
| B8 | C1 | B12 | B4 | 1.9° | 1.9° |
| B8 | C1 | B12 | C18 | 140.6° | 140.6° |
| B8 | C1 | C18 | C27 | 139.5° | 139.5° |
| B8 | C1 | C18 | H1 | 17.9° | 17.9° |
| B8 | C1 | C18 | H2 | 99.0° | 99.0° |
| B3 | B4 | B12 | B2 | 37.9° | 37.9° |
| B3 | B4 | B12 | C1 | 0.9° | 0.9° |
| B2 | B12 | B4 | C1 | 38.8° | 38.8° |
| B2 | B12 | C1 | C18 | 102.1° | 102.1° |
| B4 | B12 | C1 | C18 | 142.4° | 142.4° |
| B12 | C1 | C18 | C27 | 81.7° | 81.7° |
| B12 | C1 | C18 | H1 | 156.7° | 156.7° |
| B12 | C1 | C18 | H2 | 39.9° | 39.9° |
| B2 | C1 | C18 | C27 | 150.5° | 150.5° |
| B2 | C1 | C18 | H1 | 87.9° | 87.9° |
| B2 | C1 | C18 | H2 | 28.9° | 28.9° |
| C1 | C18 | C27 | H1 | 121.6° | 121.6° |
| C1 | C18 | C27 | H2 | 121.6° | 121.6° |
| C1 | C18 | C27 | C28 | 83.2° | 83.2° |
| C1 | C18 | H1 | H2 | 114.9° | 114.9° |
| C1 | C18 | C27 | H3 | 37.2° | 37.2° |
| C1 | C18 | C27 | H4 | 156.4° | 156.4° |
| C18 | C27 | C28 | H3 | 120.4° | 120.4° |
| C18 | C27 | C28 | H4 | 120.4° | 120.4° |
| C18 | C27 | C28 | S31 | 178.4° | 178.4° |
| C27 | C18 | H1 | H2 | 114.9° | 114.9° |
| C18 | C27 | H3 | H4 | 118.9° | 118.9° |
| C18 | C27 | C28 | H5 | 57.8° | 57.8° |
| C18 | C27 | C28 | H6 | 61.1° | 61.1° |
| C27 | C28 | S31 | H5 | 120.5° | 120.5° |
| C27 | C28 | S31 | H6 | 120.5° | 120.5° |
| C27 | C28 | S31 | O34 | 161.0° | 161.0° |
| C27 | C28 | S31 | O35 | 37.2° | 37.2° |
| C27 | C28 | S31 | N36 | 81.7° | 81.7° |
| C28 | C27 | C18 | H1 | 155.2° | 155.2° |
| C28 | C27 | C18 | H2 | 38.4° | 38.4° |
| C28 | C27 | H3 | H4 | 118.9° | 118.8° |
| C27 | C28 | H5 | H6 | 118.4° | 118.4° |
| C28 | S31 | O34 | O35 | 118.1° | 118.1° |
| C28 | S31 | O34 | N36 | 114.6° | 114.6° |
| C28 | S31 | O35 | N36 | 116.5° | 116.5° |
| S31 | C28 | C27 | H3 | 61.2° | 61.2° |
| S31 | C28 | C27 | H4 | 58.0° | 58.0° |
| S31 | C28 | H5 | H6 | 118.4° | 118.4° |
| C28 | S31 | N36 | H7 | 180.0° | 180.0° |
| C28 | S31 | N36 | H8 | 60.0° | 60.0° |
| O34 | S31 | O35 | N36 | 127.4° | 127.4° |
| O34 | S31 | C28 | H5 | 78.5° | 78.5° |
| O34 | S31 | C28 | H6 | 40.5° | 40.5° |
| O34 | S31 | N36 | H7 | 67.2° | 67.2° |
| O34 | S31 | N36 | H8 | 172.8° | 172.8° |
| O35 | S31 | C28 | H5 | 157.7° | 157.7° |
| O35 | S31 | C28 | H6 | 83.3° | 83.3° |
| O35 | S31 | N36 | H7 | 63.1° | 63.1° |
| O35 | S31 | N36 | H8 | 57.0° | 57.0° |
| N36 | S31 | C28 | H5 | 38.8° | 38.8° |
| N36 | S31 | C28 | H6 | 157.8° | 157.8° |
| S31 | N36 | H7 | H8 | 120.0° | 120.0° |
| H1 | C18 | C27 | H3 | 84.4° | 84.4° |
| H1 | C18 | C27 | H4 | 34.8° | 34.9° |
| H2 | C18 | C27 | H3 | 158.8° | 158.8° |
| H2 | C18 | C27 | H4 | 82.0° | 82.0° |
| H3 | C27 | C28 | H5 | 178.2° | 178.2° |
| H3 | C27 | C28 | H6 | 59.3° | 59.3° |
| H4 | C27 | C28 | H5 | 62.5° | 62.6° |
| H4 | C27 | C28 | H6 | 178.5° | 178.5° |
