VU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C7 | doub | 1.21Å | 1.21Å | |
| C | N | sing | 1.47Å | 1.50Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.34Å | 1.37Å | |
| C6 | C5 | sing | 1.55Å | 1.52Å | |
| O1 | C2 | sing | 1.43Å | 1.36Å | |
| C1 | N | sing | 1.47Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | N1 | sing | 1.47Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | C6 | 129.9° | 124.9° |
| O | C7 | N1 | 120.8° | 125.0° |
| C | N | C1 | 109.9° | 111.0° |
| C | N | H13 | 109.4° | 111.0° |
| N | C | H15 | 109.5° | 109.4° |
| N | C | H16 | 109.5° | 109.4° |
| N | C | H17 | 109.5° | 109.4° |
| C6 | C7 | N1 | 109.3° | 110.1° |
| C7 | C6 | C5 | 105.3° | 104.2° |
| C7 | C6 | H6 | 110.5° | 110.5° |
| C7 | C6 | H7 | 110.5° | 110.5° |
| C7 | N1 | C3 | 122.0° | 124.3° |
| C7 | N1 | C4 | 113.2° | 111.3° |
| C6 | C5 | C4 | 106.7° | 101.7° |
| C6 | C5 | H4 | 110.1° | 111.0° |
| C6 | C5 | H5 | 110.1° | 111.0° |
| C5 | C6 | H6 | 110.5° | 110.5° |
| C5 | C6 | H7 | 110.5° | 110.5° |
| O1 | C2 | C1 | 105.6° | 109.4° |
| O1 | C2 | C3 | 111.7° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O1 | C2 | H12 | 112.1° | 109.5° |
| N | C1 | C2 | 109.6° | 109.5° |
| N | C1 | H2 | 109.5° | 109.4° |
| N | C1 | H3 | 109.4° | 109.5° |
| C1 | N | H13 | 109.4° | 111.0° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H12 | 109.3° | 109.4° |
| N1 | C3 | C2 | 112.3° | 109.5° |
| C3 | N1 | C4 | 124.8° | 124.3° |
| N1 | C3 | H10 | 108.8° | 109.4° |
| N1 | C3 | H11 | 108.8° | 109.5° |
| C2 | C3 | H10 | 108.7° | 109.5° |
| C2 | C3 | H11 | 108.8° | 109.5° |
| C3 | C2 | H12 | 109.5° | 109.5° |
| N1 | C4 | C5 | 104.0° | 105.5° |
| N1 | C4 | H8 | 110.8° | 110.2° |
| N1 | C4 | H9 | 110.8° | 110.3° |
| C4 | C5 | H4 | 110.2° | 110.9° |
| C4 | C5 | H5 | 110.1° | 111.1° |
| C5 | C4 | H8 | 110.8° | 110.2° |
| C5 | C4 | H9 | 110.8° | 110.3° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 110.9° |
| H6 | C6 | H7 | 109.5° | 110.5° |
| H8 | C4 | H9 | 109.4° | 110.2° |
| H10 | C3 | H11 | 109.4° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | C6 | N1 | 178.7° | 180.0° |
| O | C7 | C6 | C5 | 175.4° | 163.8° |
| O | C7 | N1 | C3 | 11.9° | 0.7° |
| O | C7 | N1 | C4 | 169.2° | 179.5° |
| O | C7 | C6 | H6 | 56.0° | 77.5° |
| O | C7 | C6 | H7 | 65.3° | 45.1° |
| C | N | C1 | H13 | 120.1° | 124.0° |
| C | N | C1 | C2 | 147.0° | 180.0° |
| C | N | C1 | H2 | 93.0° | 60.0° |
| C | N | C1 | H3 | 27.0° | 60.0° |
| N | C | H15 | H16 | 120.0° | 120.0° |
| N | C | H15 | H17 | 120.0° | 120.0° |
| N | C | H16 | H17 | 120.0° | 120.0° |
| C7 | C6 | C5 | H6 | 119.3° | 118.7° |
| C7 | C6 | C5 | H7 | 119.3° | 118.7° |
| C6 | C7 | N1 | C3 | 167.0° | 179.3° |
| C6 | C7 | N1 | C4 | 12.0° | 0.4° |
| C7 | C6 | C5 | C4 | 1.7° | 24.8° |
| C7 | C6 | C5 | H4 | 121.3° | 142.9° |
| C7 | C6 | C5 | H5 | 117.9° | 93.4° |
| C7 | C6 | H6 | H7 | 121.9° | 122.6° |
| N1 | C7 | C6 | C5 | 5.9° | 16.3° |
| C7 | N1 | C3 | C4 | 178.8° | 179.7° |
| C7 | N1 | C3 | C2 | 138.5° | 89.7° |
| C7 | N1 | C4 | C5 | 12.6° | 17.1° |
| N1 | C7 | C6 | H6 | 125.3° | 102.5° |
| N1 | C7 | C6 | H7 | 113.4° | 135.0° |
| C7 | N1 | C4 | H8 | 131.7° | 136.1° |
| C7 | N1 | C4 | H9 | 106.6° | 102.0° |
| C7 | N1 | C3 | H10 | 101.1° | 30.3° |
| C7 | N1 | C3 | H11 | 18.1° | 150.3° |
| C6 | C5 | C4 | N1 | 8.0° | 25.5° |
| C6 | C5 | C4 | H4 | 119.6° | 118.1° |
| C6 | C5 | C4 | H5 | 119.6° | 118.1° |
| C6 | C5 | H4 | H5 | 121.3° | 123.8° |
| C5 | C6 | H6 | H7 | 121.9° | 122.6° |
| C6 | C5 | C4 | H8 | 127.2° | 144.4° |
| C6 | C5 | C4 | H9 | 111.1° | 93.6° |
| O1 | C2 | C1 | N | 48.7° | 60.0° |
| O1 | C2 | C1 | C3 | 119.9° | 120.1° |
| O1 | C2 | C1 | H12 | 120.7° | 119.9° |
| O1 | C2 | C3 | N1 | 147.4° | 65.0° |
| O1 | C2 | C3 | H12 | 124.8° | 120.0° |
| O1 | C2 | C1 | H2 | 168.8° | 60.0° |
| O1 | C2 | C1 | H3 | 71.3° | 180.0° |
| O1 | C2 | C3 | H10 | 92.2° | 55.0° |
| O1 | C2 | C3 | H11 | 26.9° | 175.0° |
| N | C1 | C2 | H2 | 120.0° | 120.0° |
| N | C1 | C2 | H3 | 120.0° | 120.0° |
| N | C1 | C2 | C3 | 168.7° | 180.0° |
| N | C1 | H2 | H3 | 119.9° | 120.0° |
| N | C1 | C2 | H12 | 72.0° | 60.0° |
| C1 | N | C | H15 | 180.0° | 60.0° |
| C1 | N | C | H16 | 60.0° | 60.0° |
| C1 | N | C | H17 | 60.0° | 180.0° |
| C1 | C2 | C3 | N1 | 31.3° | 175.0° |
| C1 | C2 | C3 | H12 | 119.2° | 120.0° |
| C1 | C2 | O1 | H1 | 180.0° | 60.1° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | C3 | H10 | 151.7° | 65.0° |
| C1 | C2 | C3 | H11 | 89.1° | 55.0° |
| C2 | C1 | N | H13 | 26.9° | 56.0° |
| N1 | C3 | C2 | H10 | 120.4° | 119.9° |
| N1 | C3 | C2 | H11 | 120.4° | 120.0° |
| C3 | N1 | C4 | C5 | 166.4° | 162.7° |
| C3 | N1 | C4 | H8 | 47.2° | 43.7° |
| C3 | N1 | C4 | H9 | 74.5° | 78.3° |
| N1 | C3 | H10 | H11 | 118.7° | 119.9° |
| N1 | C3 | C2 | H12 | 87.9° | 55.0° |
| C2 | C3 | N1 | C4 | 42.7° | 90.0° |
| C3 | C2 | O1 | H1 | 62.1° | 60.0° |
| C3 | C2 | C1 | H2 | 71.3° | 60.0° |
| C3 | C2 | C1 | H3 | 48.7° | 59.9° |
| C2 | C3 | H10 | H11 | 118.7° | 120.1° |
| N1 | C4 | C5 | H8 | 119.1° | 119.0° |
| N1 | C4 | C5 | H9 | 119.2° | 119.1° |
| N1 | C4 | C5 | H4 | 127.6° | 143.5° |
| N1 | C4 | C5 | H5 | 111.5° | 92.7° |
| N1 | C4 | H8 | H9 | 122.5° | 122.0° |
| C4 | N1 | C3 | H10 | 77.8° | 150.0° |
| C4 | N1 | C3 | H11 | 163.1° | 30.0° |
| C4 | C5 | H4 | H5 | 121.3° | 123.9° |
| C4 | C5 | C6 | H6 | 117.7° | 93.9° |
| C4 | C5 | C6 | H7 | 121.0° | 143.5° |
| C5 | C4 | H8 | H9 | 122.5° | 121.9° |
| H1 | O1 | C2 | H12 | 61.1° | 180.0° |
| H2 | C1 | C2 | H12 | 48.0° | 180.0° |
| H2 | C1 | N | H13 | 147.0° | 64.0° |
| H3 | C1 | C2 | H12 | 168.0° | 60.1° |
| H3 | C1 | N | H13 | 93.1° | 176.1° |
| H4 | C5 | C6 | H6 | 1.9° | 24.2° |
| H4 | C5 | C6 | H7 | 119.4° | 98.4° |
| H4 | C5 | C4 | H8 | 113.3° | 97.5° |
| H4 | C5 | C4 | H9 | 8.5° | 24.5° |
| H5 | C5 | C6 | H6 | 122.8° | 147.9° |
| H5 | C5 | C6 | H7 | 1.5° | 25.3° |
| H5 | C5 | C4 | H8 | 7.6° | 26.3° |
| H5 | C5 | C4 | H9 | 129.3° | 148.2° |
| H10 | C3 | C2 | H12 | 32.6° | 175.0° |
| H11 | C3 | C2 | H12 | 151.7° | 65.0° |
| H13 | N | C | H15 | 59.9° | 64.0° |
| H13 | N | C | H16 | 60.1° | 176.0° |
| H13 | N | C | H17 | 179.9° | 56.0° |
| H15 | C | H16 | H17 | 120.0° | 120.1° |
