41G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.27Å | |
| C6 | N1 | sing | 1.35Å | 1.32Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.34Å | 1.31Å | Aromatic |
| N7 | CM7 | sing | 1.46Å | 1.50Å | |
| N7 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.51Å | 1.51Å | |
| C2' | O2' | doub | 1.21Å | 1.22Å | |
| C2' | CG | sing | 1.47Å | 1.51Å | |
| CG | CD2 | sing | 1.40Å | 1.38Å | Aromatic |
| CG | CD1 | doub | 1.40Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CE2 | CN | sing | 1.47Å | 1.50Å | |
| CE2 | CZ | sing | 1.41Å | 1.48Å | Aromatic |
| CN | ON2 | sing | 1.35Å | 1.26Å | |
| CN | ON | doub | 1.22Å | 1.24Å | |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | OH | sing | 1.35Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| CM7 | HM71 | sing | 1.09Å | 1.10Å | |
| CM7 | HM72 | sing | 1.09Å | 1.10Å | |
| CM7 | HM73 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| ON2 | HN2 | sing | 0.97Å | 0.95Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 120.8° | 120.8° |
| O6 | C6 | C5 | 123.9° | 120.8° |
| N1 | C6 | C5 | 115.3° | 118.4° |
| C6 | N1 | C2 | 122.7° | 120.3° |
| C6 | N1 | H1 | 118.7° | 119.9° |
| C6 | C5 | C4 | 121.1° | 119.1° |
| C6 | C5 | N7 | 131.1° | 134.8° |
| N1 | C2 | N2 | 122.0° | 119.0° |
| N1 | C2 | N3 | 122.7° | 121.9° |
| C2 | N1 | H1 | 118.6° | 119.8° |
| N2 | C2 | N3 | 115.3° | 119.0° |
| C2 | N2 | H21N | 120.0° | 120.0° |
| C2 | N2 | H22N | 120.0° | 120.0° |
| C2 | N3 | C4 | 116.7° | 121.0° |
| N3 | C4 | C5 | 121.4° | 119.3° |
| N3 | C4 | N9 | 130.6° | 133.8° |
| C4 | C5 | N7 | 107.8° | 106.2° |
| C5 | C4 | N9 | 108.0° | 106.9° |
| C5 | N7 | CM7 | 129.9° | 126.4° |
| C5 | N7 | C8 | 106.9° | 107.1° |
| C4 | N9 | C8 | 108.1° | 109.8° |
| C4 | N9 | C1' | 124.0° | 125.1° |
| CM7 | N7 | C8 | 123.1° | 126.5° |
| N7 | CM7 | HM71 | 109.5° | 109.5° |
| N7 | CM7 | HM72 | 109.5° | 109.5° |
| N7 | CM7 | HM73 | 109.5° | 109.5° |
| N7 | C8 | N9 | 109.2° | 110.0° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| C8 | N9 | C1' | 127.9° | 125.1° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| N9 | C1' | C2' | 110.7° | 109.5° |
| N9 | C1' | H1'1 | 109.2° | 109.5° |
| N9 | C1' | H1'2 | 109.2° | 109.5° |
| C1' | C2' | O2' | 121.0° | 120.0° |
| C1' | C2' | CG | 117.9° | 120.0° |
| C2' | C1' | H1'1 | 109.1° | 109.4° |
| C2' | C1' | H1'2 | 109.1° | 109.5° |
| O2' | C2' | CG | 121.1° | 120.0° |
| C2' | CG | CD2 | 119.1° | 120.0° |
| C2' | CG | CD1 | 119.6° | 120.1° |
| CD2 | CG | CD1 | 121.3° | 119.9° |
| CG | CD2 | CE2 | 119.9° | 119.8° |
| CG | CD2 | HD2 | 120.0° | 120.1° |
| CG | CD1 | CE1 | 120.9° | 120.2° |
| CG | CD1 | HD1 | 119.6° | 119.8° |
| CD2 | CE2 | CN | 120.6° | 120.1° |
| CD2 | CE2 | CZ | 119.1° | 119.7° |
| CE2 | CD2 | HD2 | 120.1° | 120.1° |
| CN | CE2 | CZ | 120.3° | 120.1° |
| CE2 | CN | ON2 | 120.1° | 120.0° |
| CE2 | CN | ON | 116.8° | 120.0° |
| CE2 | CZ | CE1 | 118.8° | 120.1° |
| CE2 | CZ | OH | 120.7° | 120.0° |
| ON2 | CN | ON | 123.0° | 120.0° |
| CN | ON2 | HN2 | 109.5° | 117.0° |
| CD1 | CE1 | CZ | 120.0° | 120.3° |
| CE1 | CD1 | HD1 | 119.5° | 119.9° |
| CD1 | CE1 | HE1 | 120.0° | 119.8° |
| CE1 | CZ | OH | 120.5° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 119.9° |
| CZ | OH | HH | 109.5° | 114.0° |
| H21N | N2 | H22N | 120.0° | 120.0° |
| HM71 | CM7 | HM72 | 109.5° | 109.4° |
| HM71 | CM7 | HM73 | 109.5° | 109.5° |
| HM72 | CM7 | HM73 | 109.4° | 109.4° |
| H1'1 | C1' | H1'2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C5 | 179.9° | 179.5° |
| O6 | C6 | N1 | C2 | 178.9° | 180.0° |
| O6 | C6 | C5 | C4 | 178.7° | 180.0° |
| O6 | C6 | C5 | N7 | 0.5° | 0.3° |
| O6 | C6 | N1 | H1 | 1.1° | 0.2° |
| C6 | N1 | C2 | H1 | 180.0° | 179.8° |
| C6 | N1 | C2 | N2 | 179.0° | 179.8° |
| C6 | N1 | C2 | N3 | 0.3° | 0.2° |
| N1 | C6 | C5 | C4 | 1.4° | 0.5° |
| N1 | C6 | C5 | N7 | 179.6° | 179.9° |
| C5 | C6 | N1 | C2 | 1.2° | 0.5° |
| C6 | C5 | C4 | N3 | 0.8° | 0.3° |
| C6 | C5 | C4 | N7 | 178.6° | 179.7° |
| C6 | C5 | C4 | N9 | 178.7° | 179.7° |
| C6 | C5 | N7 | CM7 | 1.1° | 0.3° |
| C6 | C5 | N7 | C8 | 177.8° | 179.7° |
| C5 | C6 | N1 | H1 | 178.9° | 179.7° |
| N1 | C2 | N2 | N3 | 179.3° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N2 | H21N | 179.3° | 0.0° |
| N1 | C2 | N2 | H22N | 0.7° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N2 | C2 | N1 | H1 | 1.0° | 0.1° |
| C2 | N2 | H21N | H22N | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.5° | 180.0° |
| N3 | C2 | N1 | H1 | 179.7° | 180.0° |
| N3 | C2 | N2 | H21N | 0.0° | 180.0° |
| N3 | C2 | N2 | H22N | 180.0° | 0.0° |
| N3 | C4 | C5 | N9 | 179.5° | 180.0° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| N3 | C4 | N9 | C8 | 178.7° | 180.0° |
| N3 | C4 | N9 | C1' | 0.5° | 0.0° |
| C4 | C5 | N7 | CM7 | 179.5° | 180.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C8 | 0.8° | 0.0° |
| C5 | C4 | N9 | C1' | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| C5 | N7 | CM7 | C8 | 178.8° | 179.9° |
| C5 | N7 | C8 | N9 | 1.0° | 0.0° |
| C5 | N7 | CM7 | HM71 | 180.0° | 90.0° |
| C5 | N7 | CM7 | HM72 | 60.0° | 150.0° |
| C5 | N7 | CM7 | HM73 | 60.0° | 30.0° |
| C5 | N7 | C8 | H8 | 179.0° | 179.9° |
| C4 | N9 | C8 | N7 | 1.1° | 0.0° |
| C4 | N9 | C8 | C1' | 179.1° | 180.0° |
| C4 | N9 | C1' | C2' | 92.2° | 85.0° |
| C4 | N9 | C8 | H8 | 178.9° | 179.9° |
| C4 | N9 | C1' | H1'1 | 147.7° | 155.0° |
| C4 | N9 | C1' | H1'2 | 28.0° | 35.0° |
| CM7 | N7 | C8 | N9 | 179.9° | 180.0° |
| N7 | CM7 | HM71 | HM72 | 120.0° | 120.0° |
| N7 | CM7 | HM71 | HM73 | 120.0° | 120.1° |
| N7 | CM7 | HM72 | HM73 | 120.0° | 120.0° |
| CM7 | N7 | C8 | H8 | 0.1° | 0.1° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.8° | 180.0° |
| C8 | N7 | CM7 | HM71 | 1.2° | 90.0° |
| C8 | N7 | CM7 | HM72 | 121.2° | 30.0° |
| C8 | N7 | CM7 | HM73 | 118.8° | 149.9° |
| C8 | N9 | C1' | C2' | 88.9° | 95.0° |
| C8 | N9 | C1' | H1'1 | 31.3° | 25.0° |
| C8 | N9 | C1' | H1'2 | 151.0° | 145.0° |
| N9 | C1' | C2' | H1'1 | 120.2° | 120.0° |
| N9 | C1' | C2' | H1'2 | 120.2° | 120.0° |
| N9 | C1' | C2' | O2' | 8.8° | 0.0° |
| N9 | C1' | C2' | CG | 169.7° | 180.0° |
| C1' | N9 | C8 | H8 | 0.2° | 0.1° |
| N9 | C1' | H1'1 | H1'2 | 119.4° | 120.0° |
| C1' | C2' | O2' | CG | 178.4° | 180.0° |
| C1' | C2' | CG | CD2 | 170.6° | 180.0° |
| C1' | C2' | CG | CD1 | 7.8° | 0.3° |
| C2' | C1' | H1'1 | H1'2 | 119.4° | 120.0° |
| O2' | C2' | CG | CD2 | 7.8° | 0.0° |
| O2' | C2' | CG | CD1 | 173.8° | 179.7° |
| O2' | C2' | C1' | H1'1 | 111.4° | 120.0° |
| O2' | C2' | C1' | H1'2 | 129.0° | 120.0° |
| C2' | CG | CD2 | CD1 | 178.4° | 179.7° |
| C2' | CG | CD2 | CE2 | 179.5° | 179.7° |
| C2' | CG | CD1 | CE1 | 178.0° | 179.7° |
| CG | C2' | C1' | H1'1 | 70.1° | 60.0° |
| CG | C2' | C1' | H1'2 | 49.5° | 60.0° |
| C2' | CG | CD2 | HD2 | 0.5° | 0.3° |
| C2' | CG | CD1 | HD1 | 2.0° | 0.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CN | 178.8° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.9° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.7° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 1.0° | 0.1° |
| CD1 | CG | CD2 | HD2 | 178.8° | 179.9° |
| CG | CD1 | CE1 | HE1 | 178.9° | 180.0° |
| CD2 | CE2 | CN | CZ | 176.9° | 180.0° |
| CD2 | CE2 | CN | ON2 | 173.8° | 0.0° |
| CD2 | CE2 | CN | ON | 9.2° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 1.2° | 0.0° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| CE2 | CN | ON2 | ON | 176.8° | 180.0° |
| CN | CE2 | CZ | CE1 | 178.1° | 180.0° |
| CN | CE2 | CZ | OH | 3.0° | 0.0° |
| CN | CE2 | CD2 | HD2 | 1.2° | 0.1° |
| CE2 | CN | ON2 | HN2 | 176.8° | 180.0° |
| CZ | CE2 | CN | ON2 | 9.3° | 179.9° |
| CZ | CE2 | CN | ON | 167.7° | 0.0° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.0° |
| CE2 | CZ | CE1 | OH | 178.9° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 178.1° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 180.0° |
| CE2 | CZ | OH | HH | 180.0° | 90.0° |
| ON | CN | ON2 | HN2 | 0.0° | 0.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | OH | 178.6° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.0° | 180.0° |
| CE1 | CZ | OH | HH | 1.1° | 90.0° |
| OH | CZ | CE1 | HE1 | 1.4° | 0.1° |
| HM71 | CM7 | HM72 | HM73 | 120.0° | 120.0° |
| HD1 | CD1 | CE1 | HE1 | 1.1° | 0.1° |
