A1D8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C21 | doub | 1.21Å | 1.23Å | |
| C21 | N4 | sing | 1.34Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C26 | N6 | doub | 1.28Å | 1.31Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | N5 | sing | 1.47Å | 1.45Å | |
| C20 | C23 | sing | 1.54Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | O4 | doub | 1.21Å | 1.24Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| N5 | H33 | sing | 1.01Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| N5 | H2 | sing | 1.01Å | 1.00Å | |
| C19 | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C21 | N4 | 127.1° | 124.9° |
| O6 | C21 | C22 | 125.2° | 124.9° |
| N4 | C21 | C22 | 107.1° | 110.1° |
| C21 | N4 | C20 | 114.0° | 111.3° |
| C21 | N4 | H25 | 123.0° | 124.3° |
| C21 | C22 | C24 | 113.5° | 110.5° |
| C21 | C22 | C23 | 103.8° | 104.2° |
| C21 | C22 | H26 | 101.9° | 110.5° |
| N4 | C20 | C23 | 103.6° | 105.5° |
| N4 | C20 | C19 | 115.2° | 110.2° |
| N4 | C20 | H24 | 109.7° | 110.3° |
| C20 | N4 | H25 | 123.0° | 124.4° |
| C22 | C24 | C25 | 120.4° | 109.5° |
| C24 | C22 | C23 | 130.0° | 110.5° |
| C24 | C22 | H26 | 101.9° | 110.5° |
| C22 | C24 | H29 | 106.7° | 109.4° |
| C22 | C24 | H30 | 106.7° | 109.5° |
| C24 | C25 | C26 | 109.0° | 109.4° |
| C24 | C25 | N5 | 107.7° | 109.4° |
| C25 | C24 | H29 | 106.7° | 109.5° |
| C25 | C24 | H30 | 106.7° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C22 | C23 | C20 | 105.3° | 101.8° |
| C23 | C22 | H26 | 101.8° | 110.4° |
| C22 | C23 | H27 | 110.5° | 111.0° |
| C22 | C23 | H28 | 110.5° | 111.0° |
| N6 | C26 | C25 | 120.7° | 120.0° |
| N6 | C26 | H32 | 119.7° | 120.0° |
| C26 | N6 | H34 | 112.0° | 120.0° |
| C26 | C25 | N5 | 110.0° | 109.5° |
| C26 | C25 | H31 | 109.8° | 109.5° |
| C25 | C26 | H32 | 119.6° | 120.0° |
| N5 | C25 | H31 | 110.7° | 109.4° |
| C25 | N5 | H33 | 109.5° | 111.0° |
| C25 | N5 | H2 | 109.5° | 110.9° |
| C23 | C20 | C19 | 110.6° | 110.3° |
| C23 | C20 | H24 | 108.6° | 110.2° |
| C20 | C23 | H27 | 110.5° | 111.0° |
| C20 | C23 | H28 | 110.5° | 111.0° |
| C20 | C19 | O4 | 119.6° | 120.0° |
| C19 | C20 | H24 | 108.8° | 110.2° |
| C20 | C19 | OXT | 116.7° | 120.0° |
| O4 | C19 | OXT | 123.6° | 120.0° |
| H27 | C23 | H28 | 109.5° | 110.8° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H33 | N5 | H2 | 109.5° | 111.0° |
| C19 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C21 | N4 | C22 | 171.5° | 179.9° |
| O6 | C21 | N4 | C20 | 166.9° | 179.6° |
| O6 | C21 | C22 | C24 | 17.0° | 45.1° |
| O6 | C21 | C22 | C23 | 162.8° | 163.8° |
| O6 | C21 | N4 | H25 | 13.1° | 0.5° |
| O6 | C21 | C22 | H26 | 91.7° | 77.5° |
| C21 | N4 | C20 | H25 | 180.0° | 179.9° |
| N4 | C21 | C22 | C24 | 171.4° | 135.0° |
| N4 | C21 | C22 | C23 | 25.5° | 16.3° |
| C21 | N4 | C20 | C23 | 8.3° | 16.9° |
| C21 | N4 | C20 | C19 | 112.7° | 136.0° |
| C21 | N4 | C20 | H24 | 124.1° | 102.1° |
| N4 | C21 | C22 | H26 | 79.9° | 102.4° |
| C22 | C21 | N4 | C20 | 21.6° | 0.3° |
| C21 | C22 | C24 | C23 | 134.6° | 114.8° |
| C21 | C22 | C24 | H26 | 108.7° | 122.7° |
| C21 | C22 | C24 | C25 | 157.0° | 66.4° |
| C21 | C22 | C23 | H26 | 105.5° | 118.7° |
| C21 | C22 | C23 | C20 | 19.9° | 24.8° |
| C22 | C21 | N4 | H25 | 158.4° | 179.6° |
| C21 | C22 | C23 | H27 | 139.3° | 93.3° |
| C21 | C22 | C23 | H28 | 99.4° | 142.9° |
| C21 | C22 | C24 | H29 | 81.4° | 53.5° |
| C21 | C22 | C24 | H30 | 35.5° | 173.5° |
| N4 | C20 | C23 | C22 | 8.5° | 25.4° |
| N4 | C20 | C23 | C19 | 124.0° | 119.0° |
| N4 | C20 | C23 | H24 | 116.6° | 119.1° |
| N4 | C20 | C19 | H24 | 123.6° | 122.0° |
| N4 | C20 | C19 | O4 | 118.7° | 16.1° |
| N4 | C20 | C23 | H27 | 127.9° | 92.8° |
| N4 | C20 | C23 | H28 | 110.8° | 143.5° |
| N4 | C20 | C19 | OXT | 65.4° | 164.2° |
| C22 | C24 | C25 | H29 | 121.5° | 119.9° |
| C22 | C24 | C25 | H30 | 121.5° | 120.1° |
| C24 | C22 | C23 | H26 | 116.7° | 122.6° |
| C22 | C24 | C25 | C26 | 136.7° | 175.0° |
| C22 | C24 | C25 | N5 | 104.0° | 65.0° |
| C24 | C22 | C23 | C20 | 157.7° | 143.5° |
| C24 | C22 | C23 | H27 | 83.0° | 25.4° |
| C24 | C22 | C23 | H28 | 38.4° | 98.4° |
| C22 | C24 | H29 | H30 | 115.0° | 120.0° |
| C22 | C24 | C25 | H31 | 16.5° | 54.9° |
| C25 | C24 | C22 | C23 | 22.4° | 178.8° |
| C24 | C25 | C26 | N6 | 111.2° | 120.0° |
| C24 | C25 | C26 | N5 | 117.9° | 120.0° |
| C24 | C25 | C26 | H31 | 120.0° | 120.1° |
| C24 | C25 | N5 | H31 | 119.8° | 120.0° |
| C25 | C24 | C22 | H26 | 94.3° | 56.3° |
| C25 | C24 | H29 | H30 | 115.1° | 120.0° |
| C24 | C25 | C26 | H32 | 68.8° | 60.1° |
| C24 | C25 | N5 | H33 | 180.0° | 176.1° |
| C24 | C25 | N5 | H2 | 60.0° | 60.0° |
| C22 | C23 | C20 | H27 | 119.4° | 118.1° |
| C22 | C23 | C20 | H28 | 119.3° | 118.2° |
| C22 | C23 | C20 | C19 | 132.5° | 144.4° |
| C22 | C23 | C20 | H24 | 108.1° | 93.7° |
| C22 | C23 | H27 | H28 | 122.0° | 123.9° |
| C23 | C22 | C24 | H29 | 143.9° | 61.3° |
| C23 | C22 | C24 | H30 | 99.2° | 58.7° |
| N6 | C26 | C25 | H32 | 180.0° | 180.0° |
| N6 | C26 | C25 | N5 | 130.9° | 0.0° |
| N6 | C26 | C25 | H31 | 8.8° | 120.0° |
| C26 | C25 | N5 | H31 | 121.6° | 120.0° |
| C26 | C25 | C24 | H29 | 15.2° | 55.1° |
| C26 | C25 | C24 | H30 | 101.8° | 65.0° |
| C26 | C25 | N5 | H33 | 61.4° | 63.9° |
| C25 | C26 | N6 | H34 | 180.0° | 180.0° |
| C26 | C25 | N5 | H2 | 58.6° | 60.0° |
| N5 | C25 | C24 | H29 | 134.5° | 175.1° |
| N5 | C25 | C24 | H30 | 17.6° | 55.0° |
| N5 | C25 | C26 | H32 | 49.1° | 180.0° |
| C25 | N5 | H33 | H2 | 120.0° | 123.9° |
| C23 | C20 | C19 | H24 | 119.3° | 121.9° |
| C23 | C20 | C19 | O4 | 124.2° | 100.0° |
| C23 | C20 | N4 | H25 | 171.8° | 163.0° |
| C20 | C23 | C22 | H26 | 85.6° | 93.9° |
| C20 | C23 | H27 | H28 | 121.9° | 123.8° |
| C23 | C20 | C19 | OXT | 51.7° | 79.7° |
| C20 | C19 | O4 | OXT | 175.6° | 179.7° |
| C19 | C20 | N4 | H25 | 67.3° | 43.9° |
| C19 | C20 | C23 | H27 | 108.1° | 26.3° |
| C19 | C20 | C23 | H28 | 13.2° | 97.4° |
| C20 | C19 | OXT | HXT | 175.7° | 179.7° |
| O4 | C19 | C20 | H24 | 4.9° | 138.1° |
| O4 | C19 | OXT | HXT | 0.0° | 0.0° |
| H24 | C20 | N4 | H25 | 55.9° | 78.0° |
| H24 | C20 | C23 | H27 | 11.3° | 148.2° |
| H24 | C20 | C23 | H28 | 132.6° | 24.5° |
| H24 | C20 | C19 | OXT | 171.0° | 42.2° |
| H26 | C22 | C23 | H27 | 33.8° | 148.0° |
| H26 | C22 | C23 | H28 | 155.1° | 24.2° |
| H26 | C22 | C24 | H29 | 27.2° | 176.2° |
| H26 | C22 | C24 | H30 | 144.1° | 63.8° |
| H29 | C24 | C25 | H31 | 105.0° | 65.0° |
| H30 | C24 | C25 | H31 | 138.1° | 175.0° |
| H31 | C25 | C26 | H32 | 171.3° | 60.0° |
| H31 | C25 | N5 | H33 | 60.2° | 56.1° |
| H31 | C25 | N5 | H2 | 179.8° | 180.0° |
| H32 | C26 | N6 | H34 | 0.0° | 0.0° |
