5WZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C | C4 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| O | C5 | doub | 1.21Å | 1.23Å | |
| N1 | C5 | sing | 1.35Å | 1.36Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.51Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.48Å | |
| C6 | C8 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| N | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.9° | 109.3° |
| C1 | C | N | 111.9° | 109.5° |
| C1 | C | C4 | 112.8° | 109.5° |
| C | C1 | H10 | 109.1° | 109.5° |
| C | C1 | H11 | 109.1° | 109.5° |
| C1 | C | H14 | 106.9° | 109.4° |
| C1 | C2 | N1 | 111.1° | 108.8° |
| C1 | C2 | H8 | 109.1° | 109.6° |
| C1 | C2 | H9 | 109.1° | 109.7° |
| C2 | C1 | H10 | 109.1° | 109.5° |
| C2 | C1 | H11 | 109.1° | 109.5° |
| N | C | C4 | 110.5° | 109.5° |
| N | C | H14 | 107.5° | 109.4° |
| C | N | H15 | 109.5° | 111.0° |
| C | N | H16 | 109.5° | 111.0° |
| C | C4 | C3 | 111.4° | 109.3° |
| C | C4 | H1 | 109.0° | 109.5° |
| C | C4 | H2 | 109.0° | 109.5° |
| C4 | C | H14 | 106.9° | 109.5° |
| C2 | N1 | C5 | 124.8° | 120.6° |
| C2 | N1 | C3 | 111.8° | 118.7° |
| N1 | C2 | H8 | 109.0° | 109.6° |
| N1 | C2 | H9 | 109.0° | 109.6° |
| O | C5 | N1 | 122.8° | 120.0° |
| O | C5 | C6 | 119.2° | 119.9° |
| C5 | N1 | C3 | 123.4° | 120.7° |
| N1 | C5 | C6 | 117.7° | 120.1° |
| N1 | C3 | C4 | 113.1° | 108.8° |
| N1 | C3 | H12 | 108.6° | 109.6° |
| N1 | C3 | H13 | 108.6° | 109.5° |
| C5 | C6 | C7 | 116.1° | 117.5° |
| C5 | C6 | C8 | 116.0° | 117.5° |
| C5 | C6 | H3 | 118.2° | 115.5° |
| C3 | C4 | H1 | 109.0° | 109.5° |
| C3 | C4 | H2 | 109.0° | 109.5° |
| C4 | C3 | H12 | 108.5° | 109.6° |
| C4 | C3 | H13 | 108.5° | 109.5° |
| C6 | C7 | C8 | 60.5° | 60.0° |
| C7 | C6 | C8 | 59.5° | 60.0° |
| C7 | C6 | H3 | 117.0° | 117.5° |
| C6 | C7 | H4 | 119.9° | 117.5° |
| C6 | C7 | H5 | 119.9° | 117.5° |
| C7 | C8 | C6 | 60.0° | 60.0° |
| C8 | C7 | H4 | 119.9° | 117.5° |
| C8 | C7 | H5 | 119.9° | 117.5° |
| C7 | C8 | H6 | 120.0° | 117.5° |
| C7 | C8 | H7 | 120.0° | 117.5° |
| C8 | C6 | H3 | 116.8° | 117.5° |
| C6 | C8 | H6 | 120.0° | 117.5° |
| C6 | C8 | H7 | 120.0° | 117.5° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H4 | C7 | H5 | 109.5° | 115.6° |
| H6 | C8 | H7 | 109.5° | 115.5° |
| H8 | C2 | H9 | 109.5° | 109.6° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.7° |
| H15 | N | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H10 | 120.2° | 120.0° |
| C | C1 | C2 | H11 | 120.2° | 120.0° |
| C1 | C | N | C4 | 126.5° | 120.1° |
| C1 | C | N | H14 | 117.1° | 119.9° |
| C1 | C | C4 | H14 | 117.2° | 120.0° |
| C | C1 | C2 | N1 | 46.4° | 54.6° |
| C1 | C | C4 | C3 | 55.4° | 61.4° |
| C1 | C | C4 | H1 | 175.7° | 58.6° |
| C1 | C | C4 | H2 | 64.9° | 178.7° |
| C | C1 | C2 | H8 | 73.9° | 65.1° |
| C | C1 | C2 | H9 | 166.6° | 174.5° |
| C | C1 | H10 | H11 | 119.4° | 120.0° |
| C1 | C | N | H15 | 180.0° | 180.0° |
| C1 | C | N | H16 | 60.0° | 56.0° |
| C2 | C1 | C | N | 138.2° | 178.6° |
| C2 | C1 | C | C4 | 12.9° | 61.4° |
| C1 | C2 | N1 | H8 | 120.3° | 119.8° |
| C1 | C2 | N1 | H9 | 120.3° | 119.9° |
| C1 | C2 | N1 | C5 | 113.8° | 126.4° |
| C1 | C2 | N1 | C3 | 64.9° | 53.6° |
| C1 | C2 | H8 | H9 | 119.3° | 120.5° |
| C2 | C1 | H10 | H11 | 119.3° | 120.1° |
| C2 | C1 | C | H14 | 104.4° | 58.7° |
| N | C | C4 | H14 | 116.8° | 120.0° |
| N | C | C4 | C3 | 178.5° | 178.6° |
| N | C | C4 | H1 | 58.3° | 61.5° |
| N | C | C4 | H2 | 61.2° | 58.7° |
| N | C | C1 | H10 | 17.9° | 58.6° |
| N | C | C1 | H11 | 101.7° | 61.4° |
| C | N | H15 | H16 | 120.0° | 124.0° |
| C | C4 | C3 | N1 | 38.3° | 54.7° |
| C | C4 | C3 | H1 | 120.3° | 119.9° |
| C | C4 | C3 | H2 | 120.3° | 119.9° |
| C | C4 | H1 | H2 | 119.1° | 120.1° |
| C4 | C | C1 | H10 | 107.3° | 178.7° |
| C4 | C | C1 | H11 | 133.1° | 58.6° |
| C | C4 | C3 | H12 | 158.8° | 65.2° |
| C | C4 | C3 | H13 | 82.3° | 174.4° |
| C4 | C | N | H15 | 53.5° | 59.9° |
| C4 | C | N | H16 | 173.5° | 176.1° |
| C2 | N1 | C5 | O | 5.2° | 180.0° |
| C2 | N1 | C5 | C3 | 178.6° | 180.0° |
| C2 | N1 | C5 | C6 | 179.7° | 0.0° |
| C2 | N1 | C3 | C4 | 20.3° | 53.7° |
| N1 | C2 | H8 | H9 | 119.2° | 120.3° |
| N1 | C2 | C1 | H10 | 166.6° | 174.6° |
| N1 | C2 | C1 | H11 | 73.8° | 65.3° |
| C2 | N1 | C3 | H12 | 100.3° | 66.2° |
| C2 | N1 | C3 | H13 | 140.8° | 173.4° |
| O | C5 | N1 | C6 | 174.5° | 180.0° |
| O | C5 | N1 | C3 | 173.5° | 0.0° |
| O | C5 | C6 | C7 | 16.4° | 68.7° |
| O | C5 | C6 | C8 | 50.6° | 0.0° |
| O | C5 | C6 | H3 | 163.2° | 145.7° |
| C5 | N1 | C3 | C4 | 158.5° | 126.3° |
| N1 | C5 | C6 | C7 | 158.3° | 111.3° |
| N1 | C5 | C6 | C8 | 134.6° | 180.0° |
| N1 | C5 | C6 | H3 | 11.5° | 34.3° |
| C5 | N1 | C2 | H8 | 125.9° | 113.9° |
| C5 | N1 | C2 | H9 | 6.4° | 6.5° |
| C5 | N1 | C3 | H12 | 80.9° | 113.8° |
| C5 | N1 | C3 | H13 | 38.0° | 6.6° |
| C3 | N1 | C5 | C6 | 1.0° | 180.0° |
| N1 | C3 | C4 | H12 | 120.6° | 119.9° |
| N1 | C3 | C4 | H13 | 120.6° | 119.7° |
| N1 | C3 | C4 | H1 | 158.6° | 65.2° |
| N1 | C3 | C4 | H2 | 82.0° | 174.6° |
| C3 | N1 | C2 | H8 | 55.3° | 66.2° |
| C3 | N1 | C2 | H9 | 174.8° | 173.5° |
| N1 | C3 | H12 | H13 | 118.4° | 120.3° |
| C5 | C6 | C7 | C8 | 106.1° | 107.5° |
| C5 | C6 | C7 | H3 | 147.2° | 144.9° |
| C5 | C6 | C8 | H3 | 146.7° | 145.0° |
| C5 | C6 | C7 | H4 | 3.5° | 0.1° |
| C5 | C6 | C7 | H5 | 144.3° | 145.0° |
| C5 | C6 | C8 | H6 | 3.1° | 145.0° |
| C5 | C6 | C8 | H7 | 144.2° | 0.0° |
| C3 | C4 | H1 | H2 | 119.1° | 120.1° |
| C4 | C3 | H12 | H13 | 118.3° | 120.3° |
| C3 | C4 | C | H14 | 61.8° | 58.6° |
| C6 | C7 | C8 | H4 | 109.6° | 107.5° |
| C6 | C7 | C8 | H5 | 109.6° | 107.5° |
| C7 | C6 | C8 | H3 | 107.0° | 107.5° |
| C6 | C7 | H4 | H5 | 144.4° | 145.8° |
| C6 | C7 | C8 | H6 | 109.5° | 107.5° |
| C6 | C7 | C8 | H7 | 109.5° | 107.5° |
| C8 | C7 | H4 | H5 | 144.5° | 145.7° |
| C7 | C8 | H6 | H7 | 144.7° | 145.7° |
| C6 | C8 | H6 | H7 | 144.8° | 145.7° |
| H1 | C4 | C3 | H12 | 80.9° | 174.9° |
| H1 | C4 | C3 | H13 | 38.0° | 54.5° |
| H1 | C4 | C | H14 | 58.5° | 178.6° |
| H2 | C4 | C3 | H12 | 38.5° | 54.7° |
| H2 | C4 | C3 | H13 | 157.4° | 65.6° |
| H2 | C4 | C | H14 | 177.9° | 61.3° |
| H3 | C6 | C7 | H4 | 143.7° | 145.0° |
| H3 | C6 | C7 | H5 | 2.9° | 0.1° |
| H3 | C6 | C8 | H6 | 143.6° | 0.0° |
| H3 | C6 | C8 | H7 | 2.5° | 145.0° |
| H4 | C7 | C8 | H6 | 0.1° | 145.0° |
| H4 | C7 | C8 | H7 | 140.9° | 0.1° |
| H5 | C7 | C8 | H6 | 140.9° | 0.0° |
| H5 | C7 | C8 | H7 | 0.1° | 144.9° |
| H8 | C2 | C1 | H10 | 46.3° | 54.9° |
| H8 | C2 | C1 | H11 | 165.9° | 174.9° |
| H9 | C2 | C1 | H10 | 73.2° | 65.6° |
| H9 | C2 | C1 | H11 | 46.4° | 54.5° |
| H10 | C1 | C | H14 | 135.4° | 61.3° |
| H11 | C1 | C | H14 | 15.8° | 178.6° |
| H14 | C | N | H15 | 62.9° | 60.1° |
| H14 | C | N | H16 | 57.1° | 63.9° |
