V1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.31Å | 1.31Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| N | C3 | sing | 1.47Å | 1.44Å | |
| N | C6 | sing | 1.35Å | 1.37Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O | doub | 1.22Å | 1.21Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C7 | sing | 1.46Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.1° | 120.0° |
| C | C1 | H7 | 119.9° | 120.0° |
| C1 | C | H15 | 120.0° | 120.0° |
| C1 | C | H16 | 120.0° | 120.0° |
| C1 | C2 | N | 113.3° | 109.5° |
| C2 | C1 | H7 | 119.9° | 120.0° |
| C1 | C2 | H13 | 108.5° | 109.4° |
| C1 | C2 | H14 | 108.5° | 109.5° |
| C2 | N | C3 | 119.3° | 120.0° |
| C2 | N | C6 | 116.7° | 120.0° |
| N | C2 | H13 | 108.5° | 109.5° |
| N | C2 | H14 | 108.5° | 109.5° |
| C3 | C4 | C5 | 60.8° | 60.0° |
| C4 | C3 | N | 122.7° | 117.5° |
| C4 | C3 | C5 | 58.9° | 60.0° |
| C3 | C4 | H10 | 119.9° | 117.5° |
| C3 | C4 | H11 | 119.9° | 117.5° |
| C4 | C3 | H12 | 113.4° | 117.5° |
| C4 | C5 | C3 | 60.3° | 60.0° |
| C4 | C5 | H8 | 120.0° | 117.5° |
| C4 | C5 | H9 | 120.0° | 117.5° |
| C5 | C4 | H10 | 119.9° | 117.5° |
| C5 | C4 | H11 | 119.9° | 117.5° |
| C3 | N | C6 | 121.5° | 120.0° |
| N | C3 | C5 | 122.5° | 117.5° |
| N | C3 | H12 | 114.7° | 115.6° |
| N | C6 | O | 119.3° | 120.0° |
| N | C6 | N1 | 118.1° | 120.1° |
| C3 | C5 | H8 | 120.0° | 117.5° |
| C3 | C5 | H9 | 119.9° | 117.5° |
| C5 | C3 | H12 | 113.3° | 117.5° |
| O | C6 | N1 | 122.5° | 120.0° |
| C6 | N1 | C7 | 118.2° | 120.0° |
| C6 | N1 | H1 | 120.9° | 119.9° |
| N1 | C7 | C8 | 120.5° | 117.5° |
| N1 | C7 | C9 | 119.4° | 117.5° |
| C7 | N1 | H1 | 120.9° | 120.0° |
| N1 | C7 | H2 | 116.3° | 115.5° |
| C8 | C7 | C9 | 59.3° | 60.0° |
| C7 | C8 | C9 | 59.9° | 60.0° |
| C8 | C7 | H2 | 114.5° | 117.5° |
| C7 | C8 | H3 | 120.0° | 117.5° |
| C7 | C8 | H4 | 120.0° | 117.5° |
| C7 | C9 | C8 | 60.8° | 60.0° |
| C9 | C7 | H2 | 114.7° | 117.5° |
| C7 | C9 | H5 | 119.9° | 117.5° |
| C7 | C9 | H6 | 119.8° | 117.5° |
| C9 | C8 | H3 | 120.0° | 117.5° |
| C9 | C8 | H4 | 120.0° | 117.5° |
| C8 | C9 | H5 | 119.8° | 117.5° |
| C8 | C9 | H6 | 119.9° | 117.4° |
| H3 | C8 | H4 | 109.5° | 115.6° |
| H5 | C9 | H6 | 109.5° | 115.6° |
| H8 | C5 | H9 | 109.5° | 115.5° |
| H10 | C4 | H11 | 109.4° | 115.6° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C | H16 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H7 | 180.0° | 179.9° |
| C | C1 | C2 | N | 152.4° | 125.0° |
| C | C1 | C2 | H13 | 31.8° | 115.0° |
| C | C1 | C2 | H14 | 87.0° | 5.0° |
| C1 | C | H15 | H16 | 180.0° | 179.9° |
| C1 | C2 | N | H13 | 120.6° | 120.0° |
| C1 | C2 | N | H14 | 120.6° | 120.0° |
| C1 | C2 | N | C3 | 97.0° | 90.0° |
| C1 | C2 | N | C6 | 100.7° | 90.0° |
| C1 | C2 | H13 | H14 | 118.2° | 120.0° |
| C2 | C1 | C | H15 | 180.0° | 0.1° |
| C2 | C1 | C | H16 | 0.0° | 180.0° |
| C2 | N | C3 | C4 | 15.4° | 56.5° |
| C2 | N | C3 | C6 | 161.4° | 180.0° |
| C2 | N | C3 | C5 | 86.9° | 12.1° |
| C2 | N | C6 | O | 76.2° | 4.8° |
| C2 | N | C6 | N1 | 103.3° | 175.3° |
| N | C2 | C1 | H7 | 27.6° | 55.0° |
| C2 | N | C3 | H12 | 129.1° | 157.8° |
| N | C2 | H13 | H14 | 118.3° | 120.0° |
| C3 | C4 | C5 | H10 | 109.7° | 107.5° |
| C3 | C4 | C5 | H11 | 109.7° | 107.4° |
| C4 | C3 | N | C5 | 71.5° | 68.6° |
| C4 | C3 | N | H12 | 144.5° | 145.7° |
| C4 | C3 | N | C6 | 146.0° | 123.5° |
| C4 | C3 | C5 | H12 | 104.2° | 107.5° |
| C3 | C4 | C5 | H8 | 109.6° | 107.5° |
| C3 | C4 | C5 | H9 | 109.6° | 107.5° |
| C3 | C4 | H10 | H11 | 144.3° | 145.6° |
| C4 | C5 | H8 | H9 | 144.6° | 145.7° |
| C5 | C4 | H10 | H11 | 144.3° | 145.8° |
| N | C3 | C5 | H12 | 144.5° | 145.0° |
| C3 | N | C6 | O | 121.9° | 175.3° |
| C3 | N | C6 | N1 | 58.6° | 4.7° |
| N | C3 | C5 | H8 | 139.1° | 145.0° |
| N | C3 | C5 | H9 | 1.8° | 0.0° |
| N | C3 | C4 | H10 | 139.3° | 0.1° |
| N | C3 | C4 | H11 | 1.3° | 145.0° |
| C3 | N | C2 | H13 | 23.6° | 30.0° |
| C3 | N | C2 | H14 | 142.4° | 150.0° |
| C6 | N | C3 | C5 | 74.5° | 167.9° |
| N | C6 | O | N1 | 179.5° | 179.9° |
| N | C6 | N1 | C7 | 179.6° | 174.5° |
| N | C6 | N1 | H1 | 0.4° | 5.3° |
| C6 | N | C3 | H12 | 69.5° | 22.2° |
| C6 | N | C2 | H13 | 138.7° | 150.0° |
| C6 | N | C2 | H14 | 19.9° | 30.0° |
| C3 | C5 | H8 | H9 | 144.5° | 145.7° |
| O | C6 | N1 | C7 | 0.9° | 5.6° |
| O | C6 | N1 | H1 | 179.1° | 174.7° |
| C6 | N1 | C7 | H1 | 180.0° | 179.7° |
| C6 | N1 | C7 | C8 | 139.2° | 154.7° |
| C6 | N1 | C7 | C9 | 151.2° | 136.6° |
| C6 | N1 | C7 | H2 | 6.6° | 9.0° |
| N1 | C7 | C8 | C9 | 108.3° | 107.5° |
| N1 | C7 | C8 | H2 | 146.4° | 145.0° |
| N1 | C7 | C9 | H2 | 145.1° | 145.0° |
| N1 | C7 | C8 | H3 | 1.2° | 0.0° |
| N1 | C7 | C8 | H4 | 142.3° | 145.0° |
| N1 | C7 | C9 | H5 | 140.3° | 145.0° |
| N1 | C7 | C9 | H6 | 0.3° | 0.1° |
| C8 | C7 | C9 | H2 | 104.9° | 107.5° |
| C7 | C8 | C9 | H3 | 109.4° | 107.5° |
| C7 | C8 | C9 | H4 | 109.4° | 107.5° |
| C8 | C7 | N1 | H1 | 40.8° | 25.1° |
| C7 | C8 | H3 | H4 | 144.8° | 145.7° |
| C8 | C7 | C9 | H5 | 109.7° | 107.5° |
| C8 | C7 | C9 | H6 | 109.7° | 107.4° |
| C9 | C7 | N1 | H1 | 28.8° | 43.6° |
| C7 | C9 | H5 | H6 | 144.3° | 145.8° |
| C9 | C8 | H3 | H4 | 144.8° | 145.7° |
| C8 | C9 | H5 | H6 | 144.3° | 145.6° |
| H1 | N1 | C7 | H2 | 173.4° | 170.7° |
| H2 | C7 | C8 | H3 | 145.2° | 145.0° |
| H2 | C7 | C8 | H4 | 4.1° | 0.0° |
| H2 | C7 | C9 | H5 | 4.8° | 0.0° |
| H2 | C7 | C9 | H6 | 145.4° | 145.1° |
| H3 | C8 | C9 | H5 | 140.9° | 145.0° |
| H3 | C8 | C9 | H6 | 0.2° | 0.0° |
| H4 | C8 | C9 | H5 | 0.3° | 0.0° |
| H4 | C8 | C9 | H6 | 140.9° | 145.0° |
| H7 | C1 | C2 | H13 | 148.2° | 65.0° |
| H7 | C1 | C2 | H14 | 93.0° | 175.0° |
| H7 | C1 | C | H15 | 0.0° | 180.0° |
| H7 | C1 | C | H16 | 180.0° | 0.1° |
| H8 | C5 | C4 | H10 | 0.1° | 145.1° |
| H8 | C5 | C4 | H11 | 140.7° | 0.1° |
| H8 | C5 | C3 | H12 | 5.4° | 0.0° |
| H9 | C5 | C4 | H10 | 140.7° | 0.1° |
| H9 | C5 | C4 | H11 | 0.1° | 145.0° |
| H9 | C5 | C3 | H12 | 146.3° | 145.0° |
| H10 | C4 | C3 | H12 | 5.7° | 145.0° |
| H11 | C4 | C3 | H12 | 146.3° | 0.1° |
