A1CWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | trip | 1.14Å | 1.14Å | |
| C1 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.39Å | 1.42Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 179.6° | 179.9° |
| C1 | C2 | C3 | 119.9° | 120.1° |
| C1 | C2 | C11 | 120.3° | 120.1° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | C11 | 119.9° | 119.8° |
| C2 | C3 | H1 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C4 | C3 | H1 | 119.9° | 120.0° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| C4 | C5 | N2 | 120.9° | 119.9° |
| C4 | C5 | C10 | 119.3° | 120.1° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C5 | N2 | C6 | 117.2° | 111.0° |
| C5 | N2 | C9 | 119.4° | 111.0° |
| N2 | C5 | C10 | 119.8° | 120.0° |
| N2 | C6 | C7 | 114.2° | 109.4° |
| C6 | N2 | C9 | 123.0° | 110.9° |
| N2 | C6 | H3 | 108.3° | 109.4° |
| N2 | C6 | H4 | 108.3° | 109.5° |
| C6 | C7 | N3 | 110.0° | 109.3° |
| C7 | C6 | H3 | 108.3° | 109.5° |
| C7 | C6 | H4 | 108.3° | 109.5° |
| C6 | C7 | H5 | 109.3° | 109.5° |
| C6 | C7 | H6 | 109.3° | 109.5° |
| C7 | N3 | C8 | 108.6° | 110.9° |
| N3 | C7 | H5 | 109.4° | 109.5° |
| N3 | C7 | H6 | 109.3° | 109.5° |
| C7 | N3 | H7 | 109.7° | 111.1° |
| N3 | C8 | C9 | 110.5° | 109.3° |
| N3 | C8 | H10 | 109.2° | 109.5° |
| N3 | C8 | H9 | 109.2° | 109.5° |
| C8 | N3 | H7 | 109.7° | 111.0° |
| C8 | C9 | N2 | 113.8° | 109.4° |
| C9 | C8 | H10 | 109.2° | 109.5° |
| C9 | C8 | H9 | 109.2° | 109.5° |
| C8 | C9 | H11 | 108.4° | 109.5° |
| C8 | C9 | H12 | 108.4° | 109.5° |
| N2 | C9 | H11 | 108.4° | 109.5° |
| N2 | C9 | H12 | 108.4° | 109.5° |
| C5 | C10 | C11 | 120.5° | 120.1° |
| C5 | C10 | H13 | 119.8° | 119.9° |
| C10 | C11 | C2 | 120.0° | 119.9° |
| C11 | C10 | H13 | 119.8° | 119.9° |
| C10 | C11 | H14 | 120.0° | 120.1° |
| C2 | C11 | H14 | 120.0° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.6° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C3 | 89.8° | 49.4° |
| N1 | C1 | C2 | C11 | 89.1° | 130.7° |
| C1 | C2 | C3 | C11 | 178.9° | 179.9° |
| C1 | C2 | C3 | C4 | 179.3° | 180.0° |
| C1 | C2 | C11 | C10 | 179.3° | 180.0° |
| C1 | C2 | C11 | H14 | 0.7° | 0.0° |
| C1 | C2 | C3 | H1 | 0.7° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.2° |
| C3 | C2 | C11 | C10 | 0.5° | 0.0° |
| C3 | C2 | C11 | H14 | 179.5° | 180.0° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | N2 | 179.1° | 180.0° |
| C3 | C4 | C5 | C10 | 0.5° | 0.5° |
| C4 | C3 | C2 | C11 | 0.4° | 0.0° |
| C4 | C5 | N2 | C10 | 178.5° | 179.5° |
| C4 | C5 | N2 | C6 | 166.5° | 180.0° |
| C4 | C5 | N2 | C9 | 7.0° | 56.2° |
| C4 | C5 | C10 | C11 | 0.6° | 0.5° |
| C4 | C5 | C10 | H13 | 179.4° | 179.8° |
| C5 | C4 | C3 | H1 | 179.5° | 179.8° |
| C5 | N2 | C6 | C9 | 173.3° | 123.9° |
| C5 | N2 | C6 | C7 | 168.2° | 176.8° |
| C5 | N2 | C9 | C8 | 168.7° | 176.8° |
| N2 | C5 | C10 | C11 | 179.1° | 180.0° |
| N2 | C5 | C10 | H13 | 0.9° | 0.3° |
| N2 | C5 | C4 | H2 | 1.0° | 0.1° |
| C5 | N2 | C6 | H3 | 71.1° | 56.8° |
| C5 | N2 | C6 | H4 | 47.5° | 63.2° |
| C5 | N2 | C9 | H11 | 70.7° | 63.2° |
| C5 | N2 | C9 | H12 | 48.1° | 56.8° |
| N2 | C6 | C7 | H3 | 120.7° | 119.9° |
| N2 | C6 | C7 | H4 | 120.7° | 120.0° |
| N2 | C6 | C7 | N3 | 41.1° | 58.4° |
| C6 | N2 | C9 | C8 | 18.2° | 59.3° |
| C6 | N2 | C5 | C10 | 12.0° | 0.5° |
| N2 | C6 | H3 | H4 | 117.9° | 120.0° |
| N2 | C6 | C7 | H5 | 161.2° | 178.3° |
| N2 | C6 | C7 | H6 | 79.0° | 61.5° |
| C6 | N2 | C9 | H11 | 102.5° | 60.7° |
| C6 | N2 | C9 | H12 | 138.8° | 179.3° |
| C6 | C7 | N3 | H5 | 120.1° | 119.9° |
| C6 | C7 | N3 | H6 | 120.1° | 119.9° |
| C6 | C7 | N3 | C8 | 65.8° | 59.3° |
| C7 | C6 | N2 | C9 | 18.5° | 59.3° |
| C7 | C6 | H3 | H4 | 117.9° | 120.1° |
| C6 | C7 | H5 | H6 | 119.7° | 120.1° |
| C6 | C7 | N3 | H7 | 54.0° | 64.6° |
| C7 | N3 | C8 | H7 | 119.9° | 124.0° |
| C7 | N3 | C8 | C9 | 65.8° | 59.4° |
| N3 | C7 | C6 | H3 | 79.6° | 178.4° |
| N3 | C7 | C6 | H4 | 161.8° | 61.6° |
| N3 | C7 | H5 | H6 | 119.8° | 120.1° |
| C7 | N3 | C8 | H10 | 174.0° | 60.6° |
| C7 | N3 | C8 | H9 | 54.4° | 179.3° |
| N3 | C8 | C9 | H10 | 120.2° | 120.0° |
| N3 | C8 | C9 | H9 | 120.1° | 120.0° |
| N3 | C8 | C9 | N2 | 40.6° | 58.4° |
| C8 | N3 | C7 | H5 | 174.1° | 179.3° |
| C8 | N3 | C7 | H6 | 54.3° | 60.6° |
| N3 | C8 | H10 | H9 | 119.5° | 120.1° |
| N3 | C8 | C9 | H11 | 80.0° | 61.5° |
| N3 | C8 | C9 | H12 | 161.3° | 178.4° |
| C8 | C9 | N2 | H11 | 120.6° | 120.0° |
| C8 | C9 | N2 | H12 | 120.6° | 120.0° |
| C9 | C8 | H10 | H9 | 119.5° | 120.0° |
| C8 | C9 | H11 | H12 | 118.0° | 120.1° |
| C9 | C8 | N3 | H7 | 54.1° | 64.6° |
| C9 | N2 | C5 | C10 | 174.5° | 124.3° |
| C9 | N2 | C6 | H3 | 102.2° | 179.3° |
| C9 | N2 | C6 | H4 | 139.2° | 60.7° |
| N2 | C9 | C8 | H10 | 160.8° | 61.6° |
| N2 | C9 | C8 | H9 | 79.5° | 178.4° |
| N2 | C9 | H11 | H12 | 118.0° | 120.0° |
| C5 | C10 | C11 | H13 | 180.0° | 179.7° |
| C5 | C10 | C11 | C2 | 0.6° | 0.2° |
| C5 | C10 | C11 | H14 | 179.4° | 179.8° |
| C10 | C5 | C4 | H2 | 179.5° | 179.7° |
| C10 | C11 | C2 | H14 | 180.0° | 180.0° |
| C2 | C11 | C10 | H13 | 179.5° | 180.0° |
| C11 | C2 | C3 | H1 | 179.6° | 180.0° |
| H13 | C10 | C11 | H14 | 0.5° | 0.0° |
| H1 | C3 | C4 | H2 | 0.4° | 0.0° |
| H3 | C6 | C7 | H5 | 40.5° | 61.7° |
| H3 | C6 | C7 | H6 | 160.3° | 58.4° |
| H4 | C6 | C7 | H5 | 78.1° | 58.4° |
| H4 | C6 | C7 | H6 | 41.7° | 178.5° |
| H5 | C7 | N3 | H7 | 66.0° | 55.3° |
| H6 | C7 | N3 | H7 | 174.1° | 175.5° |
| H10 | C8 | C9 | H11 | 40.2° | 178.5° |
| H10 | C8 | C9 | H12 | 78.5° | 58.4° |
| H10 | C8 | N3 | H7 | 66.1° | 175.4° |
| H9 | C8 | C9 | H11 | 159.8° | 58.5° |
| H9 | C8 | C9 | H12 | 41.1° | 61.6° |
| H9 | C8 | N3 | H7 | 174.2° | 55.4° |
