A1BOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.37Å | |
| C5 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | C5 | sing | 1.35Å | 1.35Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C9 | C7 | sing | 1.53Å | 1.49Å | |
| C10 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O | 123.1° | 120.0° |
| N | C | C1 | 116.0° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| O | C | C1 | 120.9° | 120.0° |
| C | C1 | C2 | 112.2° | 109.5° |
| C | C1 | C10 | 111.3° | 109.8° |
| C | C1 | H | 108.3° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.7° |
| C2 | C1 | C10 | 109.0° | 109.2° |
| C1 | C2 | H4 | 109.3° | 109.2° |
| C1 | C2 | H3 | 109.3° | 109.6° |
| C2 | C1 | H | 107.9° | 109.5° |
| C2 | C3 | C4 | 109.8° | 109.3° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C3 | C2 | H3 | 109.4° | 109.5° |
| C3 | C4 | N1 | 109.6° | 108.8° |
| C3 | C4 | H8 | 109.5° | 109.6° |
| C3 | C4 | H7 | 109.5° | 109.7° |
| C4 | C3 | H6 | 109.4° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C4 | N1 | C5 | 123.9° | 120.6° |
| C4 | N1 | C10 | 114.4° | 118.8° |
| N1 | C4 | H8 | 109.4° | 109.6° |
| N1 | C4 | H7 | 109.4° | 109.6° |
| N1 | C5 | O1 | 120.8° | 120.0° |
| N1 | C5 | N2 | 117.0° | 120.0° |
| C5 | N1 | C10 | 119.3° | 120.7° |
| O1 | C5 | N2 | 122.1° | 120.0° |
| C5 | N2 | C6 | 122.9° | 120.0° |
| C5 | N2 | H9 | 118.6° | 120.0° |
| N2 | C6 | C7 | 112.3° | 109.5° |
| N2 | C6 | H10 | 108.7° | 109.5° |
| N2 | C6 | H11 | 108.7° | 109.5° |
| C6 | N2 | H9 | 118.5° | 120.0° |
| C6 | C7 | C8 | 120.6° | 117.5° |
| C6 | C7 | C9 | 121.9° | 117.5° |
| C7 | C6 | H10 | 108.8° | 109.5° |
| C7 | C6 | H11 | 108.8° | 109.5° |
| C6 | C7 | H12 | 114.4° | 115.5° |
| C7 | C8 | C9 | 59.7° | 60.0° |
| C8 | C7 | C9 | 59.6° | 60.0° |
| C8 | C7 | H12 | 114.7° | 117.5° |
| C7 | C8 | H13 | 120.1° | 117.6° |
| C7 | C8 | H14 | 120.0° | 117.4° |
| C8 | C9 | C7 | 60.7° | 60.0° |
| C9 | C8 | H13 | 120.1° | 117.5° |
| C9 | C8 | H14 | 120.1° | 117.4° |
| C8 | C9 | H15 | 119.9° | 117.6° |
| C8 | C9 | H16 | 119.9° | 117.5° |
| C9 | C7 | H12 | 115.0° | 117.6° |
| C7 | C9 | H15 | 119.9° | 117.5° |
| C7 | C9 | H16 | 119.9° | 117.5° |
| N1 | C10 | C1 | 110.2° | 108.8° |
| N1 | C10 | H18 | 109.3° | 109.6° |
| N1 | C10 | H17 | 109.3° | 109.6° |
| C1 | C10 | H18 | 109.3° | 109.5° |
| C1 | C10 | H17 | 109.3° | 109.7° |
| C10 | C1 | H | 108.1° | 109.3° |
| H8 | C4 | H7 | 109.4° | 109.6° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 115.6° |
| H18 | C10 | H17 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 115.5° |
| H6 | C3 | H5 | 109.5° | 109.6° |
| H4 | C2 | H3 | 109.5° | 109.4° |
| H1 | N | H2 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O | C1 | 179.2° | 179.9° |
| N | C | C1 | C2 | 107.6° | 180.0° |
| N | C | C1 | C10 | 130.0° | 60.1° |
| N | C | C1 | H | 11.3° | 59.9° |
| C | N | H1 | H2 | 180.0° | 180.0° |
| O | C | C1 | C2 | 73.1° | 0.0° |
| O | C | C1 | C10 | 49.3° | 119.8° |
| O | C | C1 | H | 167.9° | 120.1° |
| O | C | N | H1 | 0.0° | 179.9° |
| O | C | N | H2 | 180.0° | 0.1° |
| C | C1 | C2 | C10 | 123.7° | 120.2° |
| C | C1 | C2 | H | 119.2° | 120.1° |
| C | C1 | C2 | C3 | 179.0° | 178.7° |
| C | C1 | C10 | N1 | 179.8° | 174.6° |
| C | C1 | C10 | H | 118.7° | 120.1° |
| C | C1 | C10 | H18 | 59.7° | 65.6° |
| C | C1 | C10 | H17 | 60.1° | 54.7° |
| C | C1 | C2 | H4 | 58.9° | 61.3° |
| C | C1 | C2 | H3 | 61.0° | 58.5° |
| C1 | C | N | H1 | 179.2° | 0.0° |
| C1 | C | N | H2 | 0.8° | 180.0° |
| C1 | C2 | C3 | H4 | 120.1° | 119.9° |
| C1 | C2 | C3 | H3 | 120.1° | 120.3° |
| C1 | C2 | C3 | C4 | 58.2° | 61.1° |
| C2 | C1 | C10 | N1 | 55.9° | 54.6° |
| C2 | C1 | C10 | H | 117.0° | 119.8° |
| C2 | C1 | C10 | H18 | 176.1° | 174.4° |
| C2 | C1 | C10 | H17 | 64.2° | 65.4° |
| C1 | C2 | C3 | H6 | 61.9° | 178.9° |
| C1 | C2 | C3 | H5 | 178.2° | 58.8° |
| C1 | C2 | H4 | H3 | 119.8° | 119.9° |
| C2 | C3 | C4 | H6 | 120.0° | 119.9° |
| C2 | C3 | C4 | H5 | 120.0° | 119.9° |
| C2 | C3 | C4 | N1 | 56.9° | 54.6° |
| C3 | C2 | C1 | C10 | 57.3° | 61.1° |
| C2 | C3 | C4 | H8 | 176.9° | 65.2° |
| C2 | C3 | C4 | H7 | 63.1° | 174.5° |
| C2 | C3 | H6 | H5 | 119.9° | 120.1° |
| C3 | C2 | H4 | H3 | 119.8° | 119.9° |
| C3 | C2 | C1 | H | 59.8° | 58.6° |
| C3 | C4 | N1 | H8 | 120.0° | 119.8° |
| C3 | C4 | N1 | H7 | 120.0° | 119.9° |
| C3 | C4 | N1 | C5 | 104.2° | 126.4° |
| C3 | C4 | N1 | C10 | 58.1° | 53.9° |
| C3 | C4 | H8 | H7 | 120.0° | 120.4° |
| C4 | C3 | H6 | H5 | 119.9° | 120.1° |
| C4 | C3 | C2 | H4 | 178.2° | 58.7° |
| C4 | C3 | C2 | H3 | 61.9° | 178.6° |
| C4 | N1 | C5 | C10 | 161.6° | 179.8° |
| C4 | N1 | C5 | O1 | 174.0° | 174.9° |
| C4 | N1 | C5 | N2 | 2.2° | 5.0° |
| C4 | N1 | C10 | C1 | 58.1° | 53.9° |
| N1 | C4 | H8 | H7 | 119.9° | 120.3° |
| C4 | N1 | C10 | H18 | 178.2° | 173.7° |
| C4 | N1 | C10 | H17 | 62.0° | 66.1° |
| N1 | C4 | C3 | H6 | 63.1° | 174.5° |
| N1 | C4 | C3 | H5 | 176.9° | 65.3° |
| N1 | C5 | O1 | N2 | 176.0° | 179.9° |
| N1 | C5 | N2 | C6 | 169.4° | 175.0° |
| C5 | N1 | C10 | C1 | 105.2° | 126.3° |
| C5 | N1 | C4 | H8 | 15.8° | 113.9° |
| C5 | N1 | C4 | H7 | 135.7° | 6.4° |
| C5 | N1 | C10 | H18 | 14.9° | 6.6° |
| C5 | N1 | C10 | H17 | 134.7° | 113.7° |
| N1 | C5 | N2 | H9 | 10.6° | 5.0° |
| O1 | C5 | N2 | C6 | 6.8° | 5.1° |
| O1 | C5 | N1 | C10 | 24.4° | 4.8° |
| O1 | C5 | N2 | H9 | 173.2° | 174.9° |
| C5 | N2 | C6 | H9 | 180.0° | 179.9° |
| C5 | N2 | C6 | C7 | 105.9° | 180.0° |
| N2 | C5 | N1 | C10 | 159.3° | 175.2° |
| C5 | N2 | C6 | H10 | 133.6° | 60.0° |
| C5 | N2 | C6 | H11 | 14.5° | 60.0° |
| N2 | C6 | C7 | H10 | 120.4° | 120.0° |
| N2 | C6 | C7 | H11 | 120.4° | 120.0° |
| N2 | C6 | C7 | C8 | 40.0° | 175.0° |
| N2 | C6 | C7 | C9 | 31.0° | 116.4° |
| N2 | C6 | H10 | H11 | 118.7° | 120.0° |
| N2 | C6 | C7 | H12 | 176.9° | 29.3° |
| C6 | C7 | C8 | C9 | 111.4° | 107.5° |
| C6 | C7 | C8 | H12 | 143.0° | 144.9° |
| C6 | C7 | C9 | H12 | 145.7° | 145.1° |
| C7 | C6 | H10 | H11 | 118.7° | 120.0° |
| C6 | C7 | C8 | H13 | 2.0° | 0.0° |
| C6 | C7 | C8 | H14 | 139.2° | 145.1° |
| C7 | C6 | N2 | H9 | 74.1° | 0.0° |
| C6 | C7 | C9 | H15 | 0.4° | 144.9° |
| C6 | C7 | C9 | H16 | 141.1° | 0.1° |
| C7 | C8 | C9 | H13 | 109.4° | 107.6° |
| C7 | C8 | C9 | H14 | 109.4° | 107.5° |
| C8 | C7 | C9 | H12 | 105.1° | 107.5° |
| C8 | C7 | C6 | H10 | 80.4° | 55.0° |
| C8 | C7 | C6 | H11 | 160.4° | 65.0° |
| C7 | C8 | H13 | H14 | 144.9° | 145.7° |
| C8 | C7 | C9 | H15 | 109.7° | 107.6° |
| C8 | C7 | C9 | H16 | 109.7° | 107.5° |
| C9 | C8 | H13 | H14 | 144.9° | 145.6° |
| C8 | C9 | H15 | H16 | 144.3° | 145.8° |
| C9 | C7 | C6 | H10 | 151.5° | 123.6° |
| C9 | C7 | C6 | H11 | 89.4° | 3.6° |
| C7 | C9 | H15 | H16 | 144.4° | 145.6° |
| N1 | C10 | C1 | H18 | 120.1° | 119.8° |
| N1 | C10 | C1 | H17 | 120.1° | 119.9° |
| C10 | N1 | C4 | H8 | 178.2° | 65.9° |
| C10 | N1 | C4 | H7 | 61.9° | 173.8° |
| N1 | C10 | H18 | H17 | 119.7° | 120.3° |
| N1 | C10 | C1 | H | 61.1° | 65.3° |
| C1 | C10 | H18 | H17 | 119.6° | 120.4° |
| C10 | C1 | C2 | H4 | 177.4° | 58.9° |
| C10 | C1 | C2 | H3 | 62.8° | 178.7° |
| H8 | C4 | C3 | H6 | 56.9° | 54.7° |
| H8 | C4 | C3 | H5 | 63.1° | 174.9° |
| H7 | C4 | C3 | H6 | 176.8° | 65.6° |
| H7 | C4 | C3 | H5 | 56.9° | 54.6° |
| H10 | C6 | C7 | H12 | 62.7° | 90.6° |
| H10 | C6 | N2 | H9 | 46.4° | 120.0° |
| H11 | C6 | C7 | H12 | 56.5° | 149.4° |
| H11 | C6 | N2 | H9 | 165.5° | 120.1° |
| H12 | C7 | C8 | H13 | 145.0° | 144.9° |
| H12 | C7 | C8 | H14 | 3.8° | 0.1° |
| H12 | C7 | C9 | H15 | 145.2° | 0.1° |
| H12 | C7 | C9 | H16 | 4.5° | 145.0° |
| H13 | C8 | C9 | H15 | 0.3° | 145.0° |
| H13 | C8 | C9 | H16 | 140.9° | 0.1° |
| H14 | C8 | C9 | H15 | 141.0° | 0.0° |
| H14 | C8 | C9 | H16 | 0.3° | 145.1° |
| H18 | C10 | C1 | H | 59.1° | 54.5° |
| H17 | C10 | C1 | H | 178.8° | 174.8° |
| H6 | C3 | C2 | H4 | 58.2° | 61.2° |
| H6 | C3 | C2 | H3 | 178.0° | 58.7° |
| H5 | C3 | C2 | H4 | 61.7° | 178.7° |
| H5 | C3 | C2 | H3 | 58.1° | 61.5° |
| H4 | C2 | C1 | H | 60.3° | 178.6° |
| H3 | C2 | C1 | H | 179.9° | 61.6° |
