VCO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | trip | 1.14Å | 1.14Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.50Å | 1.45Å | |
| C10 | C3 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.35Å | |
| C4 | N | sing | 1.33Å | 1.44Å | |
| C3 | C2 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | N | sing | 1.46Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O | C2 | sing | 1.35Å | 1.32Å | |
| O | C1 | sing | 1.45Å | 1.41Å | |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| 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 | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C10 | C3 | 178.3° | 179.9° |
| C6 | C5 | C4 | 109.9° | 110.6° |
| C5 | C6 | C7 | 112.9° | 108.7° |
| C6 | C5 | H9 | 109.4° | 109.3° |
| C6 | C5 | H10 | 109.4° | 109.2° |
| C5 | C6 | H11 | 108.6° | 109.6° |
| C5 | C6 | H12 | 108.6° | 109.6° |
| C5 | C4 | C3 | 121.2° | 117.6° |
| C5 | C4 | N | 116.1° | 124.7° |
| C4 | C5 | H9 | 109.4° | 109.3° |
| C4 | C5 | H10 | 109.3° | 109.3° |
| C10 | C3 | C4 | 117.7° | 120.0° |
| C10 | C3 | C2 | 116.5° | 120.0° |
| C6 | C7 | C8 | 115.4° | 109.5° |
| C6 | C7 | H1 | 108.0° | 109.5° |
| C6 | C7 | H2 | 108.0° | 109.4° |
| C7 | C6 | H11 | 108.6° | 109.6° |
| C7 | C6 | H12 | 108.6° | 109.6° |
| C3 | C4 | N | 122.6° | 117.7° |
| C4 | C3 | C2 | 125.9° | 120.0° |
| C4 | N | C9 | 111.1° | 124.2° |
| C4 | N | H16 | 109.1° | 118.0° |
| C3 | C2 | O | 112.6° | 120.0° |
| C3 | C2 | O1 | 123.3° | 120.0° |
| C7 | C8 | C9 | 116.5° | 108.4° |
| C8 | C7 | H1 | 108.0° | 109.5° |
| C8 | C7 | H2 | 108.0° | 109.5° |
| C7 | C8 | H3 | 107.7° | 109.7° |
| C7 | C8 | H4 | 107.7° | 109.7° |
| N | C9 | C8 | 109.5° | 110.2° |
| N | C9 | H5 | 109.4° | 109.3° |
| N | C9 | H6 | 109.4° | 109.4° |
| C9 | N | H16 | 109.0° | 117.9° |
| C9 | C8 | H3 | 107.6° | 109.7° |
| C9 | C8 | H4 | 107.7° | 109.7° |
| C8 | C9 | H5 | 109.5° | 109.3° |
| C8 | C9 | H6 | 109.5° | 109.3° |
| C2 | O | C1 | 123.0° | 117.0° |
| O | C2 | O1 | 124.1° | 120.0° |
| O | C1 | C | 101.8° | 109.5° |
| O | C1 | H7 | 111.3° | 109.4° |
| O | C1 | H8 | 111.3° | 109.5° |
| C | C1 | H7 | 111.4° | 109.5° |
| C | C1 | H8 | 111.4° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.7° |
| H5 | C9 | H6 | 109.5° | 109.2° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H9 | C5 | H10 | 109.5° | 109.2° |
| H11 | C6 | H12 | 109.5° | 109.7° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C10 | C3 | C4 | 168.0° | 61.7° |
| N1 | C10 | C3 | C2 | 12.3° | 118.3° |
| C6 | C5 | C4 | H9 | 120.1° | 120.3° |
| C6 | C5 | C4 | H10 | 120.1° | 120.2° |
| C5 | C6 | C7 | H11 | 120.5° | 119.8° |
| C5 | C6 | C7 | H12 | 120.5° | 119.7° |
| C6 | C5 | C4 | C3 | 98.3° | 149.5° |
| C6 | C5 | C4 | N | 82.2° | 30.5° |
| C5 | C6 | C7 | C8 | 46.7° | 60.0° |
| C5 | C6 | C7 | H1 | 74.2° | 60.1° |
| C5 | C6 | C7 | H2 | 167.6° | 180.0° |
| C6 | C5 | H9 | H10 | 119.8° | 119.4° |
| C5 | C6 | H11 | H12 | 118.5° | 120.4° |
| C5 | C4 | C3 | C10 | 2.0° | 5.4° |
| C4 | C5 | C6 | C7 | 88.0° | 89.9° |
| C5 | C4 | C3 | N | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 178.4° | 174.5° |
| C5 | C4 | N | C9 | 1.5° | 5.7° |
| C4 | C5 | H9 | H10 | 119.8° | 119.5° |
| C4 | C5 | C6 | H11 | 151.5° | 150.3° |
| C4 | C5 | C6 | H12 | 32.5° | 29.8° |
| C5 | C4 | N | H16 | 121.7° | 174.4° |
| C10 | C3 | C4 | C2 | 179.6° | 180.0° |
| C10 | C3 | C4 | N | 177.5° | 174.6° |
| C10 | C3 | C2 | O | 0.6° | 100.2° |
| C10 | C3 | C2 | O1 | 178.8° | 79.8° |
| C6 | C7 | C8 | H1 | 120.9° | 120.0° |
| C6 | C7 | C8 | H2 | 120.9° | 120.0° |
| C6 | C7 | C8 | C9 | 47.9° | 32.8° |
| C6 | C7 | H1 | H2 | 117.3° | 119.9° |
| C6 | C7 | C8 | H3 | 168.9° | 152.5° |
| C6 | C7 | C8 | H4 | 73.2° | 86.9° |
| C7 | C6 | C5 | H9 | 152.0° | 30.4° |
| C7 | C6 | C5 | H10 | 32.1° | 149.8° |
| C7 | C6 | H11 | H12 | 118.4° | 120.4° |
| C3 | C4 | N | C9 | 179.1° | 174.3° |
| C4 | C3 | C2 | O | 179.8° | 79.8° |
| C4 | C3 | C2 | O1 | 1.6° | 100.2° |
| C3 | C4 | C5 | H9 | 21.7° | 90.2° |
| C3 | C4 | C5 | H10 | 141.6° | 29.3° |
| C3 | C4 | N | H16 | 58.9° | 5.6° |
| N | C4 | C3 | C2 | 2.2° | 5.5° |
| C4 | N | C9 | H16 | 120.3° | 179.9° |
| C4 | N | C9 | C8 | 76.6° | 52.6° |
| C4 | N | C9 | H5 | 163.4° | 67.6° |
| C4 | N | C9 | H6 | 43.4° | 172.8° |
| N | C4 | C5 | H9 | 157.7° | 89.8° |
| N | C4 | C5 | H10 | 37.9° | 150.8° |
| C3 | C2 | O | O1 | 178.1° | 180.0° |
| C3 | C2 | O | C1 | 179.8° | 180.0° |
| C7 | C8 | C9 | N | 86.8° | 92.9° |
| C7 | C8 | C9 | H3 | 121.0° | 119.8° |
| C7 | C8 | C9 | H4 | 121.0° | 119.7° |
| C8 | C7 | H1 | H2 | 117.3° | 120.0° |
| C7 | C8 | H3 | H4 | 116.8° | 120.5° |
| C7 | C8 | C9 | H5 | 153.2° | 27.3° |
| C7 | C8 | C9 | H6 | 33.2° | 146.8° |
| C8 | C7 | C6 | H11 | 167.2° | 179.8° |
| C8 | C7 | C6 | H12 | 73.9° | 59.7° |
| N | C9 | C8 | H5 | 120.0° | 120.2° |
| N | C9 | C8 | H6 | 120.0° | 120.3° |
| N | C9 | C8 | H3 | 152.2° | 147.3° |
| N | C9 | C8 | H4 | 34.2° | 26.8° |
| N | C9 | H5 | H6 | 119.9° | 119.7° |
| C9 | C8 | C7 | H1 | 73.0° | 152.8° |
| C9 | C8 | C7 | H2 | 168.7° | 87.2° |
| C9 | C8 | H3 | H4 | 116.8° | 120.5° |
| C8 | C9 | H5 | H6 | 120.0° | 119.6° |
| C8 | C9 | N | H16 | 43.6° | 127.5° |
| C2 | O | C1 | C | 179.5° | 180.0° |
| C2 | O | C1 | H7 | 60.8° | 60.0° |
| C2 | O | C1 | H8 | 61.7° | 59.9° |
| C1 | O | C2 | O1 | 1.7° | 0.0° |
| O | C1 | C | H7 | 118.7° | 120.0° |
| O | C1 | C | H8 | 118.7° | 120.0° |
| O | C1 | H7 | H8 | 123.5° | 119.9° |
| O | C1 | C | H13 | 180.0° | 60.0° |
| O | C1 | C | H14 | 60.0° | 59.9° |
| O | C1 | C | H15 | 60.0° | 180.0° |
| C | C1 | H7 | H8 | 123.6° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 119.9° |
| C1 | C | H13 | H15 | 120.0° | 120.1° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| H1 | C7 | C8 | H3 | 48.0° | 87.5° |
| H1 | C7 | C8 | H4 | 166.0° | 33.1° |
| H1 | C7 | C6 | H11 | 46.3° | 59.7° |
| H1 | C7 | C6 | H12 | 165.3° | 179.8° |
| H2 | C7 | C8 | H3 | 70.3° | 32.6° |
| H2 | C7 | C8 | H4 | 47.7° | 153.1° |
| H2 | C7 | C6 | H11 | 72.0° | 60.2° |
| H2 | C7 | C6 | H12 | 47.0° | 60.2° |
| H3 | C8 | C9 | H5 | 32.2° | 92.5° |
| H3 | C8 | C9 | H6 | 87.9° | 27.0° |
| H4 | C8 | C9 | H5 | 85.8° | 147.0° |
| H4 | C8 | C9 | H6 | 154.2° | 93.5° |
| H5 | C9 | N | H16 | 76.4° | 112.3° |
| H6 | C9 | N | H16 | 163.6° | 7.3° |
| H7 | C1 | C | H13 | 61.3° | 180.0° |
| H7 | C1 | C | H14 | 178.7° | 60.1° |
| H7 | C1 | C | H15 | 58.7° | 60.0° |
| H8 | C1 | C | H13 | 61.3° | 60.1° |
| H8 | C1 | C | H14 | 58.8° | 180.0° |
| H8 | C1 | C | H15 | 178.8° | 60.0° |
| H9 | C5 | C6 | H11 | 31.5° | 89.4° |
| H9 | C5 | C6 | H12 | 87.5° | 150.1° |
| H10 | C5 | C6 | H11 | 88.4° | 30.0° |
| H10 | C5 | C6 | H12 | 152.6° | 90.5° |
| H13 | C | H14 | H15 | 119.9° | 120.0° |
