8PB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C05 | sing | 1.43Å | 1.39Å | |
| C05 | C06 | sing | 1.54Å | 1.57Å | |
| C05 | C04 | sing | 1.55Å | 1.54Å | |
| C06 | N02 | sing | 1.48Å | 1.54Å | |
| C04 | C03 | sing | 1.55Å | 1.53Å | |
| N02 | C01 | sing | 1.47Å | 1.50Å | |
| N02 | C03 | sing | 1.49Å | 1.48Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| O07 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C05 | C06 | 112.3° | 110.3° |
| O07 | C05 | C04 | 108.3° | 110.2° |
| O07 | C05 | H8 | 111.9° | 110.3° |
| C05 | O07 | H12 | 109.5° | 114.0° |
| C06 | C05 | C04 | 105.0° | 105.1° |
| C05 | C06 | N02 | 106.7° | 107.2° |
| C06 | C05 | H8 | 109.3° | 110.3° |
| C05 | C06 | H9 | 110.2° | 110.0° |
| C05 | C06 | H10 | 110.1° | 109.9° |
| C05 | C04 | C03 | 103.3° | 102.9° |
| C05 | C04 | H6 | 111.0° | 110.7° |
| C05 | C04 | H7 | 111.0° | 110.9° |
| C04 | C05 | H8 | 109.7° | 110.4° |
| C06 | N02 | C01 | 114.0° | 111.0° |
| C06 | N02 | C03 | 105.7° | 105.7° |
| N02 | C06 | H9 | 110.2° | 109.8° |
| N02 | C06 | H10 | 110.1° | 110.0° |
| C04 | C03 | N02 | 107.4° | 103.4° |
| C04 | C03 | H4 | 110.0° | 110.7° |
| C04 | C03 | H5 | 110.0° | 110.7° |
| C03 | C04 | H6 | 111.0° | 110.7° |
| C03 | C04 | H7 | 111.0° | 110.7° |
| C01 | N02 | C03 | 112.2° | 111.3° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.4° |
| N02 | C01 | H3 | 109.4° | 109.5° |
| N02 | C03 | H4 | 110.0° | 110.6° |
| N02 | C03 | H5 | 110.0° | 110.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 110.6° |
| H6 | C04 | H7 | 109.5° | 110.6° |
| H9 | C06 | H10 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C05 | C06 | C04 | 117.5° | 118.8° |
| O07 | C05 | C06 | H8 | 124.8° | 122.2° |
| O07 | C05 | C04 | H8 | 122.4° | 122.1° |
| O07 | C05 | C06 | N02 | 126.6° | 117.7° |
| O07 | C05 | C04 | C03 | 146.5° | 140.8° |
| O07 | C05 | C04 | H6 | 27.5° | 100.8° |
| O07 | C05 | C04 | H7 | 94.4° | 22.4° |
| O07 | C05 | C06 | H9 | 113.8° | 123.1° |
| O07 | C05 | C06 | H10 | 7.1° | 1.8° |
| C06 | C05 | C04 | H8 | 117.4° | 119.0° |
| C05 | C06 | N02 | H9 | 119.6° | 119.4° |
| C05 | C06 | N02 | H10 | 119.6° | 119.4° |
| C06 | C05 | C04 | C03 | 26.3° | 22.0° |
| C05 | C06 | N02 | C01 | 136.2° | 145.8° |
| C05 | C06 | N02 | C03 | 12.5° | 25.1° |
| C06 | C05 | C04 | H6 | 92.7° | 140.3° |
| C06 | C05 | C04 | H7 | 145.3° | 96.5° |
| C05 | C06 | H9 | H10 | 121.3° | 121.2° |
| C06 | C05 | O07 | H12 | 180.0° | 61.5° |
| C04 | C05 | C06 | N02 | 9.1° | 1.1° |
| C05 | C04 | C03 | H6 | 119.0° | 118.3° |
| C05 | C04 | C03 | H7 | 119.0° | 118.6° |
| C05 | C04 | C03 | N02 | 35.6° | 37.4° |
| C05 | C04 | C03 | H4 | 155.2° | 155.8° |
| C05 | C04 | C03 | H5 | 84.1° | 81.2° |
| C05 | C04 | H6 | H7 | 122.9° | 123.3° |
| C04 | C05 | C06 | H9 | 128.7° | 118.1° |
| C04 | C05 | C06 | H10 | 110.4° | 120.6° |
| C04 | C05 | O07 | H12 | 64.5° | 177.1° |
| C06 | N02 | C03 | C04 | 29.9° | 39.0° |
| C06 | N02 | C01 | C03 | 120.1° | 117.4° |
| C06 | N02 | C01 | H1 | 180.0° | 60.1° |
| C06 | N02 | C01 | H2 | 60.0° | 180.0° |
| C06 | N02 | C01 | H3 | 60.0° | 60.0° |
| C06 | N02 | C03 | H4 | 149.6° | 157.5° |
| C06 | N02 | C03 | H5 | 89.7° | 79.6° |
| N02 | C06 | C05 | H8 | 108.5° | 120.2° |
| N02 | C06 | H9 | H10 | 121.2° | 121.2° |
| C04 | C03 | N02 | C01 | 154.8° | 159.6° |
| C04 | C03 | N02 | H4 | 119.7° | 118.5° |
| C04 | C03 | N02 | H5 | 119.6° | 118.6° |
| C04 | C03 | H4 | H5 | 121.0° | 123.1° |
| C03 | C04 | H6 | H7 | 122.8° | 123.2° |
| C03 | C04 | C05 | H8 | 91.1° | 97.0° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.1° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 85.6° | 82.0° |
| C01 | N02 | C03 | H5 | 35.1° | 40.9° |
| C01 | N02 | C06 | H9 | 16.6° | 26.5° |
| C01 | N02 | C06 | H10 | 104.3° | 94.7° |
| C03 | N02 | C01 | H1 | 59.9° | 177.5° |
| C03 | N02 | C01 | H2 | 60.1° | 62.6° |
| C03 | N02 | C01 | H3 | 179.9° | 57.4° |
| N02 | C03 | H4 | H5 | 121.0° | 123.0° |
| N02 | C03 | C04 | H6 | 83.4° | 155.7° |
| N02 | C03 | C04 | H7 | 154.6° | 81.2° |
| C03 | N02 | C06 | H9 | 107.1° | 94.3° |
| C03 | N02 | C06 | H10 | 132.0° | 144.6° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H6 | 36.2° | 85.8° |
| H4 | C03 | C04 | H7 | 85.7° | 37.3° |
| H5 | C03 | C04 | H6 | 156.9° | 37.2° |
| H5 | C03 | C04 | H7 | 34.9° | 160.3° |
| H6 | C04 | C05 | H8 | 149.9° | 21.3° |
| H7 | C04 | C05 | H8 | 28.0° | 144.5° |
| H8 | C05 | C06 | H9 | 11.1° | 0.9° |
| H8 | C05 | C06 | H10 | 131.9° | 120.4° |
| H8 | C05 | O07 | H12 | 56.6° | 60.7° |
