7R0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2H | C1H | sing | 1.35Å | 1.34Å | Aromatic |
| N2H | C2H | sing | 1.37Å | 1.36Å | Aromatic |
| C1H | N1H | doub | 1.30Å | 1.35Å | Aromatic |
| C2H | CG1 | doub | 1.35Å | 1.38Å | Aromatic |
| N1H | CG1 | sing | 1.34Å | 1.36Å | Aromatic |
| CG1 | CB1 | sing | 1.51Å | 1.51Å | |
| CB1 | CA1 | sing | 1.53Å | 1.53Å | |
| CA1 | N1 | sing | 1.47Å | 1.44Å | |
| CA1 | C1 | sing | 1.51Å | 1.46Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| C1 | N3 | sing | 1.37Å | 1.36Å | |
| N2 | CA2 | sing | 1.37Å | 1.33Å | |
| N3 | CA3 | sing | 1.47Å | 1.47Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| CA2 | CB2 | doub | 1.38Å | 1.48Å | |
| CA2 | C2 | sing | 1.47Å | 1.39Å | |
| CA3 | C3 | sing | 1.51Å | 1.50Å | |
| CB2 | CG2 | sing | 1.46Å | 1.46Å | |
| C3 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | O2 | doub | 1.22Å | 1.29Å | |
| CG2 | CD2 | sing | 1.40Å | 1.40Å | Aromatic |
| CG2 | CD1 | doub | 1.40Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.37Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.37Å | 1.39Å | Aromatic |
| CE2 | CZ1 | sing | 1.39Å | 1.39Å | Aromatic |
| CE1 | CZ1 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ1 | OH | sing | 1.36Å | 1.26Å | |
| C3 | OXT | sing | 1.34Å | 1.48Å | |
| C1H | H12 | sing | 1.08Å | 1.08Å | |
| N2H | H10 | sing | 0.97Å | 1.00Å | |
| CB1 | H7 | sing | 1.09Å | 1.10Å | |
| C2H | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CE1 | H19 | sing | 1.08Å | 1.08Å | |
| CE2 | H17 | sing | 1.08Å | 1.08Å | |
| CD2 | H16 | sing | 1.08Å | 1.08Å | |
| CD1 | H18 | sing | 1.08Å | 1.08Å | |
| CB2 | H14 | sing | 1.08Å | 1.08Å | |
| OH | H20 | sing | 0.97Å | 0.95Å | |
| CB1 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1H | N2H | C2H | 109.1° | 107.2° |
| N2H | C1H | N1H | 108.2° | 108.7° |
| N2H | C1H | H12 | 125.9° | 125.6° |
| C1H | N2H | H10 | 125.5° | 126.4° |
| N2H | C2H | CG1 | 107.1° | 106.9° |
| C2H | N2H | H10 | 125.4° | 126.4° |
| N2H | C2H | H9 | 126.5° | 126.6° |
| C1H | N1H | CG1 | 108.6° | 109.2° |
| N1H | C1H | H12 | 125.9° | 125.6° |
| C2H | CG1 | N1H | 107.0° | 108.0° |
| C2H | CG1 | CB1 | 126.2° | 126.0° |
| CG1 | C2H | H9 | 126.5° | 126.6° |
| N1H | CG1 | CB1 | 126.8° | 126.0° |
| CG1 | CB1 | CA1 | 111.4° | 109.5° |
| CG1 | CB1 | H7 | 109.0° | 109.5° |
| CG1 | CB1 | H8 | 109.0° | 109.4° |
| CB1 | CA1 | N1 | 106.7° | 109.5° |
| CB1 | CA1 | C1 | 112.3° | 109.4° |
| CA1 | CB1 | H7 | 109.0° | 109.5° |
| CA1 | CB1 | H8 | 109.0° | 109.5° |
| CB1 | CA1 | HA1 | 111.2° | 109.5° |
| N1 | CA1 | C1 | 101.4° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 112.6° | 109.5° |
| CA1 | C1 | N2 | 120.8° | 124.3° |
| CA1 | C1 | N3 | 128.4° | 124.4° |
| C1 | CA1 | HA1 | 112.2° | 109.4° |
| N2 | C1 | N3 | 110.8° | 111.3° |
| C1 | N2 | CA2 | 108.4° | 109.3° |
| C1 | N3 | CA3 | 125.7° | 125.8° |
| C1 | N3 | C2 | 104.6° | 108.4° |
| N2 | CA2 | CB2 | 115.9° | 127.1° |
| N2 | CA2 | C2 | 105.6° | 105.7° |
| CA3 | N3 | C2 | 129.6° | 125.8° |
| N3 | CA3 | C3 | 118.5° | 109.5° |
| N3 | CA3 | HA31 | 107.1° | 109.4° |
| N3 | CA3 | HA32 | 107.2° | 109.5° |
| N3 | C2 | CA2 | 110.6° | 105.2° |
| N3 | C2 | O2 | 123.4° | 127.3° |
| CB2 | CA2 | C2 | 138.5° | 127.1° |
| CA2 | CB2 | CG2 | 125.5° | 120.0° |
| CA2 | CB2 | H14 | 117.3° | 120.0° |
| CA2 | C2 | O2 | 125.9° | 127.4° |
| CA3 | C3 | O3 | 118.0° | 120.0° |
| CA3 | C3 | OXT | 100.1° | 120.0° |
| C3 | CA3 | HA31 | 107.1° | 109.5° |
| C3 | CA3 | HA32 | 107.1° | 109.5° |
| CB2 | CG2 | CD2 | 113.4° | 120.1° |
| CB2 | CG2 | CD1 | 125.4° | 120.1° |
| CG2 | CB2 | H14 | 117.3° | 120.0° |
| O3 | C3 | OXT | 134.8° | 120.1° |
| CD2 | CG2 | CD1 | 121.0° | 119.7° |
| CG2 | CD2 | CE2 | 120.4° | 119.8° |
| CG2 | CD2 | H16 | 119.8° | 120.1° |
| CG2 | CD1 | CE1 | 118.4° | 119.9° |
| CG2 | CD1 | H18 | 120.8° | 120.1° |
| CD2 | CE2 | CZ1 | 118.9° | 120.1° |
| CD2 | CE2 | H17 | 120.6° | 119.9° |
| CE2 | CD2 | H16 | 119.8° | 120.1° |
| CD1 | CE1 | CZ1 | 120.9° | 120.2° |
| CD1 | CE1 | H19 | 119.5° | 120.0° |
| CE1 | CD1 | H18 | 120.8° | 120.0° |
| CE2 | CZ1 | CE1 | 120.4° | 120.3° |
| CE2 | CZ1 | OH | 119.7° | 119.8° |
| CZ1 | CE2 | H17 | 120.6° | 120.0° |
| CE1 | CZ1 | OH | 119.9° | 119.9° |
| CZ1 | CE1 | H19 | 119.6° | 119.9° |
| CZ1 | OH | H20 | 109.5° | 114.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H7 | CB1 | H8 | 109.5° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1H | N2H | C2H | H10 | 180.0° | 179.9° |
| N2H | C1H | N1H | H12 | 180.0° | 179.8° |
| C1H | N2H | C2H | CG1 | 0.7° | 0.2° |
| N2H | C1H | N1H | CG1 | 0.2° | 0.2° |
| C1H | N2H | C2H | H9 | 179.3° | 180.0° |
| C2H | N2H | C1H | N1H | 0.6° | 0.0° |
| N2H | C2H | CG1 | H9 | 180.0° | 179.8° |
| N2H | C2H | CG1 | N1H | 0.6° | 0.4° |
| N2H | C2H | CG1 | CB1 | 178.9° | 180.0° |
| C2H | N2H | C1H | H12 | 179.4° | 179.8° |
| C1H | N1H | CG1 | C2H | 0.2° | 0.4° |
| C1H | N1H | CG1 | CB1 | 179.3° | 180.0° |
| N1H | C1H | N2H | H10 | 179.4° | 179.9° |
| C2H | CG1 | N1H | CB1 | 179.5° | 179.6° |
| C2H | CG1 | CB1 | CA1 | 162.5° | 124.5° |
| CG1 | C2H | N2H | H10 | 179.3° | 179.7° |
| C2H | CG1 | CB1 | H7 | 77.2° | 115.4° |
| C2H | CG1 | CB1 | H8 | 42.2° | 4.6° |
| N1H | CG1 | CB1 | CA1 | 16.9° | 55.0° |
| CG1 | N1H | C1H | H12 | 179.8° | 180.0° |
| N1H | CG1 | CB1 | H7 | 103.4° | 65.0° |
| N1H | CG1 | C2H | H9 | 179.4° | 179.9° |
| N1H | CG1 | CB1 | H8 | 137.2° | 175.0° |
| CG1 | CB1 | CA1 | H7 | 120.3° | 120.0° |
| CG1 | CB1 | CA1 | H8 | 120.3° | 119.9° |
| CG1 | CB1 | CA1 | N1 | 78.0° | 65.0° |
| CG1 | CB1 | CA1 | C1 | 171.8° | 175.0° |
| CG1 | CB1 | H7 | H8 | 119.1° | 120.0° |
| CB1 | CG1 | C2H | H9 | 1.1° | 0.2° |
| CG1 | CB1 | CA1 | HA1 | 45.2° | 55.0° |
| CB1 | CA1 | N1 | C1 | 117.6° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 122.3° | 120.0° |
| CB1 | CA1 | C1 | HA1 | 126.1° | 120.0° |
| CB1 | CA1 | C1 | N2 | 13.0° | 85.0° |
| CB1 | CA1 | C1 | N3 | 168.7° | 95.4° |
| CA1 | CB1 | H7 | H8 | 119.1° | 120.1° |
| CB1 | CA1 | N1 | H | 180.0° | 60.0° |
| CB1 | CA1 | N1 | H2 | 60.0° | 64.0° |
| N1 | CA1 | C1 | HA1 | 120.3° | 120.0° |
| N1 | CA1 | C1 | N2 | 100.5° | 35.0° |
| N1 | CA1 | C1 | N3 | 77.7° | 144.6° |
| N1 | CA1 | CB1 | H7 | 161.7° | 175.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | CB1 | H8 | 42.3° | 54.9° |
| CA1 | C1 | N2 | N3 | 178.5° | 179.6° |
| CA1 | C1 | N2 | CA2 | 179.2° | 180.0° |
| CA1 | C1 | N3 | CA3 | 1.2° | 0.1° |
| CA1 | C1 | N3 | C2 | 178.6° | 179.9° |
| C1 | CA1 | CB1 | H7 | 51.5° | 55.0° |
| C1 | CA1 | N1 | H | 62.4° | 60.0° |
| C1 | CA1 | CB1 | H8 | 67.9° | 65.1° |
| C1 | CA1 | N1 | H2 | 57.7° | 176.0° |
| N2 | C1 | N3 | CA3 | 177.2° | 179.7° |
| N2 | C1 | N3 | C2 | 0.2° | 0.2° |
| C1 | N2 | CA2 | CB2 | 179.1° | 179.8° |
| C1 | N2 | CA2 | C2 | 0.9° | 0.4° |
| N2 | C1 | CA1 | HA1 | 139.1° | 155.0° |
| N3 | C1 | N2 | CA2 | 0.7° | 0.4° |
| C1 | N3 | CA3 | C2 | 176.7° | 180.0° |
| C1 | N3 | C2 | CA2 | 0.3° | 0.0° |
| C1 | N3 | CA3 | C3 | 123.7° | 90.0° |
| C1 | N3 | C2 | O2 | 179.6° | 180.0° |
| C1 | N3 | CA3 | HA31 | 115.0° | 30.0° |
| N3 | C1 | CA1 | HA1 | 42.6° | 24.6° |
| C1 | N3 | CA3 | HA32 | 2.4° | 150.0° |
| N2 | CA2 | C2 | N3 | 0.8° | 0.2° |
| N2 | CA2 | CB2 | C2 | 179.9° | 179.8° |
| N2 | CA2 | CB2 | CG2 | 175.5° | 172.1° |
| N2 | CA2 | C2 | O2 | 180.0° | 179.8° |
| N2 | CA2 | CB2 | H14 | 4.4° | 7.8° |
| CA3 | N3 | C2 | CA2 | 177.6° | 180.0° |
| N3 | CA3 | C3 | HA31 | 121.3° | 120.0° |
| N3 | CA3 | C3 | HA32 | 121.3° | 120.0° |
| N3 | CA3 | C3 | O3 | 157.9° | 0.0° |
| CA3 | N3 | C2 | O2 | 3.2° | 0.1° |
| N3 | CA3 | C3 | OXT | 47.3° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 115.9° | 120.0° |
| N3 | C2 | CA2 | CB2 | 179.2° | 179.9° |
| N3 | C2 | CA2 | O2 | 179.2° | 180.0° |
| C2 | N3 | CA3 | C3 | 59.6° | 90.0° |
| C2 | N3 | CA3 | HA31 | 61.7° | 150.0° |
| C2 | N3 | CA3 | HA32 | 179.1° | 30.0° |
| CA2 | CB2 | CG2 | H14 | 180.0° | 179.9° |
| CB2 | CA2 | C2 | O2 | 0.1° | 0.0° |
| CA2 | CB2 | CG2 | CD2 | 133.9° | 141.2° |
| CA2 | CB2 | CG2 | CD1 | 41.8° | 39.1° |
| C2 | CA2 | CB2 | CG2 | 4.6° | 7.7° |
| C2 | CA2 | CB2 | H14 | 175.5° | 172.4° |
| CA3 | C3 | O3 | OXT | 143.8° | 180.0° |
| C3 | CA3 | HA31 | HA32 | 115.9° | 120.0° |
| CA3 | C3 | OXT | HXT | 148.1° | 180.0° |
| CB2 | CG2 | CD2 | CD1 | 175.9° | 179.7° |
| CB2 | CG2 | CD2 | CE2 | 178.5° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 177.8° | 180.0° |
| CB2 | CG2 | CD2 | H16 | 1.5° | 0.0° |
| CB2 | CG2 | CD1 | H18 | 2.1° | 0.1° |
| O3 | C3 | CA3 | HA31 | 36.6° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| O3 | C3 | CA3 | HA32 | 80.8° | 120.0° |
| CG2 | CD2 | CE2 | H16 | 180.0° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 2.4° | 0.3° |
| CG2 | CD2 | CE2 | CZ1 | 1.0° | 0.1° |
| CG2 | CD2 | CE2 | H17 | 179.0° | 180.0° |
| CD2 | CG2 | CD1 | H18 | 177.6° | 179.8° |
| CD2 | CG2 | CB2 | H14 | 46.1° | 38.8° |
| CD1 | CG2 | CD2 | CE2 | 2.6° | 0.3° |
| CG2 | CD1 | CE1 | H18 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ1 | 0.7° | 0.0° |
| CG2 | CD1 | CE1 | H19 | 179.2° | 180.0° |
| CD1 | CG2 | CD2 | H16 | 177.4° | 179.7° |
| CD1 | CG2 | CB2 | H14 | 138.2° | 140.8° |
| CD2 | CE2 | CZ1 | H17 | 180.0° | 180.0° |
| CD2 | CE2 | CZ1 | CE1 | 0.7° | 0.2° |
| CD2 | CE2 | CZ1 | OH | 179.7° | 180.0° |
| CD1 | CE1 | CZ1 | CE2 | 0.8° | 0.3° |
| CD1 | CE1 | CZ1 | H19 | 180.0° | 180.0° |
| CD1 | CE1 | CZ1 | OH | 179.6° | 180.0° |
| CE2 | CZ1 | CE1 | OH | 179.7° | 179.7° |
| CE2 | CZ1 | CE1 | H19 | 179.2° | 179.7° |
| CZ1 | CE2 | CD2 | H16 | 179.0° | 180.0° |
| CE2 | CZ1 | OH | H20 | 180.0° | 90.3° |
| CE1 | CZ1 | CE2 | H17 | 179.3° | 179.7° |
| CZ1 | CE1 | CD1 | H18 | 179.2° | 179.9° |
| CE1 | CZ1 | OH | H20 | 0.3° | 90.0° |
| OH | CZ1 | CE1 | H19 | 0.4° | 0.0° |
| OH | CZ1 | CE2 | H17 | 0.3° | 0.0° |
| OXT | C3 | CA3 | HA31 | 168.6° | 60.0° |
| OXT | C3 | CA3 | HA32 | 74.0° | 60.0° |
| H12 | C1H | N2H | H10 | 0.6° | 0.3° |
| H10 | N2H | C2H | H9 | 0.7° | 0.1° |
| H7 | CB1 | CA1 | HA1 | 75.1° | 65.0° |
| H | N1 | CA1 | HA1 | 57.7° | 180.0° |
| H19 | CE1 | CD1 | H18 | 0.8° | 0.1° |
| H17 | CE2 | CD2 | H16 | 1.0° | 0.0° |
| H8 | CB1 | CA1 | HA1 | 165.4° | 175.0° |
| H2 | N1 | CA1 | HA1 | 177.7° | 56.0° |
