V1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N5 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C8 | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.40Å | Aromatic |
| CE2 | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| CD1 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | CZ | sing | 1.49Å | 1.50Å | |
| C9 | C7 | sing | 1.41Å | 1.37Å | Aromatic |
| N6 | C7 | doub | 1.31Å | 1.35Å | Aromatic |
| CZ | CE1 | doub | 1.39Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.53Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CE1 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CD2 | H9 | sing | 1.08Å | 1.08Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| CE2 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 39.79Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C4 | C3 | 100.5° | 109.5° |
| C4 | N5 | C8 | 133.7° | 125.9° |
| C4 | N5 | N6 | 114.3° | 125.9° |
| N5 | C4 | H14 | 111.7° | 109.4° |
| N5 | C4 | H15 | 111.7° | 109.5° |
| C4 | C3 | C1 | 109.4° | 109.5° |
| C4 | C3 | C2 | 112.8° | 109.5° |
| C3 | C4 | H14 | 111.7° | 109.5° |
| C3 | C4 | H15 | 111.6° | 109.5° |
| C4 | C3 | H16 | 107.1° | 109.5° |
| C1 | C3 | C2 | 112.8° | 109.5° |
| C1 | C3 | H16 | 107.2° | 109.4° |
| C3 | C1 | H20 | 109.5° | 109.4° |
| C3 | C1 | H21 | 109.5° | 109.5° |
| C3 | C1 | H22 | 109.4° | 109.4° |
| N5 | C8 | C9 | 104.8° | 107.6° |
| C8 | N5 | N6 | 111.7° | 108.2° |
| N5 | C8 | H12 | 127.6° | 126.2° |
| C8 | C9 | CZ | 127.0° | 126.2° |
| C8 | C9 | C7 | 109.6° | 107.6° |
| C9 | C8 | H12 | 127.6° | 126.2° |
| N5 | N6 | C7 | 105.2° | 108.5° |
| CD1 | CE2 | CZ | 119.6° | 119.9° |
| CE2 | CD1 | CG | 120.8° | 120.1° |
| CE2 | CD1 | H8 | 119.6° | 120.0° |
| CD1 | CE2 | H11 | 120.2° | 120.1° |
| CE2 | CZ | C9 | 124.4° | 120.1° |
| CE2 | CZ | CE1 | 120.2° | 119.8° |
| CZ | CE2 | H11 | 120.2° | 120.0° |
| C2 | C3 | H16 | 107.1° | 109.4° |
| C3 | C2 | H17 | 109.5° | 109.4° |
| C3 | C2 | H18 | 109.5° | 109.5° |
| C3 | C2 | H19 | 109.4° | 109.5° |
| CD1 | CG | CB | 120.2° | 119.9° |
| CD1 | CG | CD2 | 119.1° | 120.2° |
| CG | CD1 | H8 | 119.6° | 119.9° |
| CZ | C9 | C7 | 123.2° | 126.2° |
| C9 | CZ | CE1 | 115.3° | 120.1° |
| C9 | C7 | N6 | 108.6° | 108.1° |
| C9 | C7 | H13 | 125.7° | 126.0° |
| N6 | C7 | H13 | 125.7° | 125.9° |
| CZ | CE1 | CD2 | 119.8° | 119.9° |
| CZ | CE1 | H10 | 120.1° | 120.0° |
| CB | CG | CD2 | 120.7° | 119.9° |
| CG | CB | CA | 115.7° | 109.4° |
| CG | CB | H6 | 107.9° | 109.5° |
| CG | CB | H7 | 107.9° | 109.5° |
| CG | CD2 | CE1 | 120.6° | 120.1° |
| CG | CD2 | H9 | 119.7° | 120.0° |
| CB | CA | C | 107.6° | 109.5° |
| CB | CA | N | 109.5° | 109.4° |
| CB | CA | HA | 107.3° | 109.5° |
| CA | CB | H6 | 107.9° | 109.5° |
| CA | CB | H7 | 107.9° | 109.4° |
| C | CA | N | 115.8° | 109.5° |
| CA | C | O | 123.5° | 120.0° |
| C | CA | HA | 107.9° | 109.5° |
| CA | C | OXT | 86.5° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.5° | 109.5° |
| CE1 | CD2 | H9 | 119.7° | 119.9° |
| CD2 | CE1 | H10 | 120.1° | 120.1° |
| O | C | OXT | 68.4° | 120.0° |
| H | N | H2 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.5° |
| H17 | C2 | H19 | 109.5° | 109.4° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H22 | 109.5° | 109.4° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C4 | C3 | H14 | 118.5° | 119.9° |
| N5 | C4 | C3 | H15 | 118.5° | 120.0° |
| N5 | C4 | C3 | C1 | 91.7° | 175.0° |
| C4 | N5 | C8 | N6 | 173.5° | 179.8° |
| C4 | N5 | C8 | C9 | 177.3° | 180.0° |
| N5 | C4 | C3 | C2 | 141.9° | 65.0° |
| C4 | N5 | N6 | C7 | 177.1° | 179.8° |
| C4 | N5 | C8 | H12 | 2.7° | 0.0° |
| N5 | C4 | H14 | H15 | 124.2° | 120.0° |
| N5 | C4 | C3 | H16 | 24.2° | 55.0° |
| C4 | C3 | C1 | C2 | 126.4° | 120.0° |
| C4 | C3 | C1 | H16 | 115.9° | 120.0° |
| C3 | C4 | N5 | C8 | 81.7° | 125.0° |
| C3 | C4 | N5 | N6 | 91.7° | 54.8° |
| C4 | C3 | C2 | H16 | 117.7° | 120.0° |
| C3 | C4 | H14 | H15 | 124.2° | 120.0° |
| C4 | C3 | C2 | H17 | 180.0° | 60.0° |
| C4 | C3 | C2 | H18 | 60.0° | 180.0° |
| C4 | C3 | C2 | H19 | 60.0° | 60.0° |
| C4 | C3 | C1 | H20 | 180.0° | 60.0° |
| C4 | C3 | C1 | H21 | 60.0° | 180.0° |
| C4 | C3 | C1 | H22 | 60.0° | 60.0° |
| C1 | C3 | C2 | H16 | 117.8° | 119.9° |
| C1 | C3 | C4 | H14 | 149.8° | 65.0° |
| C1 | C3 | C4 | H15 | 26.8° | 55.0° |
| C1 | C3 | C2 | H17 | 55.4° | 60.1° |
| C1 | C3 | C2 | H18 | 175.5° | 60.0° |
| C1 | C3 | C2 | H19 | 64.6° | 180.0° |
| C3 | C1 | H20 | H21 | 120.0° | 120.0° |
| C3 | C1 | H20 | H22 | 120.0° | 119.9° |
| C3 | C1 | H21 | H22 | 120.0° | 120.0° |
| N5 | C8 | C9 | H12 | 180.0° | 180.0° |
| N5 | C8 | C9 | CZ | 177.9° | 180.0° |
| N5 | C8 | C9 | C7 | 3.8° | 0.3° |
| C8 | N5 | N6 | C7 | 2.3° | 0.1° |
| C8 | N5 | C4 | H14 | 159.7° | 115.0° |
| C8 | N5 | C4 | H15 | 36.8° | 5.0° |
| C9 | C8 | N5 | N6 | 3.7° | 0.2° |
| C8 | C9 | CZ | CE2 | 30.6° | 0.0° |
| C8 | C9 | CZ | C7 | 173.3° | 179.7° |
| C8 | C9 | C7 | N6 | 2.5° | 0.2° |
| C8 | C9 | CZ | CE1 | 146.9° | 179.7° |
| C8 | C9 | C7 | H13 | 177.5° | 179.7° |
| N5 | N6 | C7 | C9 | 0.2° | 0.1° |
| N6 | N5 | C8 | H12 | 176.3° | 179.8° |
| N5 | N6 | C7 | H13 | 179.8° | 179.9° |
| N6 | N5 | C4 | H14 | 26.9° | 65.2° |
| N6 | N5 | C4 | H15 | 149.8° | 174.7° |
| CD1 | CE2 | CZ | H11 | 180.0° | 179.9° |
| CE2 | CD1 | CG | H8 | 180.0° | 180.0° |
| CD1 | CE2 | CZ | C9 | 179.6° | 180.0° |
| CD1 | CE2 | CZ | CE1 | 2.3° | 0.3° |
| CE2 | CD1 | CG | CB | 178.1° | 180.0° |
| CE2 | CD1 | CG | CD2 | 0.3° | 0.2° |
| CZ | CE2 | CD1 | CG | 1.0° | 0.1° |
| CE2 | CZ | C9 | CE1 | 177.4° | 179.7° |
| CE2 | CZ | C9 | C7 | 156.1° | 179.7° |
| CE2 | CZ | CE1 | CD2 | 2.4° | 0.3° |
| CZ | CE2 | CD1 | H8 | 179.0° | 180.0° |
| CE2 | CZ | CE1 | H10 | 177.6° | 179.7° |
| C2 | C3 | C4 | H14 | 23.3° | 55.0° |
| C2 | C3 | C4 | H15 | 99.6° | 175.1° |
| C3 | C2 | H17 | H18 | 120.0° | 120.0° |
| C3 | C2 | H17 | H19 | 120.0° | 120.0° |
| C3 | C2 | H18 | H19 | 120.0° | 120.0° |
| C2 | C3 | C1 | H20 | 53.6° | 180.0° |
| C2 | C3 | C1 | H21 | 66.4° | 59.9° |
| C2 | C3 | C1 | H22 | 173.6° | 60.1° |
| CD1 | CG | CB | CD2 | 178.3° | 179.8° |
| CD1 | CG | CB | CA | 64.7° | 89.7° |
| CD1 | CG | CD2 | CE1 | 0.2° | 0.3° |
| CD1 | CG | CB | H6 | 56.2° | 150.3° |
| CD1 | CG | CB | H7 | 174.4° | 30.2° |
| CD1 | CG | CD2 | H9 | 179.8° | 179.7° |
| CG | CD1 | CE2 | H11 | 179.0° | 180.0° |
| CZ | C9 | C7 | N6 | 176.9° | 180.0° |
| C9 | CZ | CE1 | CD2 | 179.9° | 180.0° |
| C9 | CZ | CE1 | H10 | 0.1° | 0.0° |
| C9 | CZ | CE2 | H11 | 0.4° | 0.1° |
| CZ | C9 | C8 | H12 | 2.1° | 0.0° |
| CZ | C9 | C7 | H13 | 3.1° | 0.0° |
| C9 | C7 | N6 | H13 | 180.0° | 180.0° |
| C7 | C9 | CZ | CE1 | 26.4° | 0.0° |
| C7 | C9 | C8 | H12 | 176.2° | 179.7° |
| CZ | CE1 | CD2 | CG | 1.1° | 0.0° |
| CZ | CE1 | CD2 | H10 | 180.0° | 179.9° |
| CZ | CE1 | CD2 | H9 | 178.9° | 180.0° |
| CE1 | CZ | CE2 | H11 | 177.7° | 179.8° |
| CG | CB | CA | H6 | 120.9° | 120.0° |
| CG | CB | CA | H7 | 120.9° | 120.0° |
| CG | CB | CA | C | 177.9° | 175.0° |
| CG | CB | CA | N | 55.5° | 65.0° |
| CB | CG | CD2 | CE1 | 178.2° | 180.0° |
| CG | CB | CA | HA | 62.1° | 55.0° |
| CG | CB | H6 | H7 | 117.2° | 120.1° |
| CB | CG | CD1 | H8 | 1.9° | 0.0° |
| CB | CG | CD2 | H9 | 1.9° | 0.0° |
| CD2 | CG | CB | CA | 117.0° | 90.0° |
| CG | CD2 | CE1 | H9 | 180.0° | 180.0° |
| CD2 | CG | CB | H6 | 122.1° | 30.0° |
| CD2 | CG | CB | H7 | 3.9° | 150.0° |
| CD2 | CG | CD1 | H8 | 179.7° | 179.7° |
| CG | CD2 | CE1 | H10 | 178.9° | 179.9° |
| CB | CA | C | N | 122.8° | 120.0° |
| CB | CA | C | HA | 115.5° | 120.0° |
| CB | CA | N | HA | 116.8° | 120.0° |
| CB | CA | C | O | 91.9° | 100.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H6 | H7 | 117.2° | 119.9° |
| CB | CA | C | OXT | 153.0° | 80.0° |
| C | CA | N | HA | 121.4° | 120.0° |
| CA | C | O | OXT | 70.0° | 180.0° |
| C | CA | N | H | 58.2° | 60.0° |
| C | CA | N | H2 | 61.8° | 176.0° |
| C | CA | CB | H6 | 57.0° | 65.0° |
| C | CA | CB | H7 | 61.1° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | C | O | 30.9° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 176.4° | 55.0° |
| N | CA | CB | H7 | 65.4° | 175.0° |
| N | CA | C | OXT | 30.2° | 160.0° |
| O | C | CA | HA | 152.6° | 140.1° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H | N | CA | HA | 63.2° | 180.0° |
| H2 | N | CA | HA | 176.8° | 56.0° |
| HA | CA | CB | H6 | 58.8° | 175.0° |
| HA | CA | CB | H7 | 177.0° | 65.0° |
| HA | CA | C | OXT | 91.5° | 40.0° |
| H8 | CD1 | CE2 | H11 | 1.0° | 0.0° |
| H9 | CD2 | CE1 | H10 | 1.1° | 0.0° |
| H14 | C4 | C3 | H16 | 94.3° | 175.0° |
| H15 | C4 | C3 | H16 | 142.7° | 64.9° |
| H16 | C3 | C2 | H17 | 62.3° | 180.0° |
| H16 | C3 | C2 | H18 | 57.7° | 60.0° |
| H16 | C3 | C2 | H19 | 177.7° | 60.1° |
| H16 | C3 | C1 | H20 | 64.1° | 60.1° |
| H16 | C3 | C1 | H21 | 175.9° | 60.0° |
| H16 | C3 | C1 | H22 | 55.8° | 180.0° |
| H17 | C2 | H18 | H19 | 120.0° | 120.0° |
| H20 | C1 | H21 | H22 | 120.0° | 120.0° |
