ZYA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | sing | 1.45Å | 1.42Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | C | sing | 1.51Å | 1.52Å | |
| CA1 | N1 | sing | 1.46Å | 1.45Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG | sing | 1.51Å | 1.52Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| C | N2 | sing | 1.35Å | 1.33Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | CT | sing | 1.51Å | 1.52Å | |
| CA2 | N2 | sing | 1.47Å | 1.45Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB23 | sing | 1.09Å | 1.10Å | |
| CT | CM | sing | 1.51Å | 1.52Å | |
| CT | OT | doub | 1.21Å | 1.24Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | F1 | sing | 1.40Å | 1.49Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| OH | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 118.8° | 120.0° |
| N1 | C1 | O2 | 109.3° | 120.0° |
| C1 | N1 | CA1 | 125.5° | 120.0° |
| C1 | N1 | HN1 | 117.2° | 120.0° |
| O1 | C1 | O2 | 121.3° | 120.0° |
| C1 | O2 | C2 | 120.8° | 117.0° |
| C3 | C2 | O2 | 140.8° | 109.5° |
| C3 | C2 | H21 | 100.1° | 109.5° |
| C3 | C2 | H22 | 100.1° | 109.4° |
| C2 | C3 | C4 | 117.4° | 120.0° |
| C2 | C3 | C8 | 120.7° | 120.0° |
| O2 | C2 | H21 | 100.1° | 109.5° |
| O2 | C2 | H22 | 100.1° | 109.5° |
| H21 | C2 | H22 | 117.0° | 109.4° |
| C4 | C3 | C8 | 121.4° | 120.0° |
| C3 | C4 | C5 | 119.2° | 120.0° |
| C3 | C4 | H4 | 120.4° | 120.1° |
| C3 | C8 | C7 | 118.7° | 120.0° |
| C3 | C8 | H8 | 120.7° | 120.0° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 120.6° | 120.0° |
| CB1 | CA1 | C | 110.6° | 109.5° |
| CB1 | CA1 | N1 | 109.2° | 109.5° |
| CB1 | CA1 | HA1 | 109.1° | 109.5° |
| CA1 | CB1 | CG | 111.5° | 109.5° |
| CA1 | CB1 | HB11 | 108.8° | 109.4° |
| CA1 | CB1 | HB12 | 108.8° | 109.5° |
| C | CA1 | N1 | 109.9° | 109.5° |
| C | CA1 | HA1 | 108.4° | 109.5° |
| CA1 | C | N2 | 109.1° | 120.0° |
| CA1 | C | O | 122.4° | 120.1° |
| N1 | CA1 | HA1 | 109.7° | 109.4° |
| CA1 | N1 | HN1 | 117.2° | 120.0° |
| CG | CB1 | HB11 | 108.8° | 109.5° |
| CG | CB1 | HB12 | 108.8° | 109.5° |
| CB1 | CG | CD1 | 119.2° | 119.9° |
| CB1 | CG | CD2 | 120.1° | 119.9° |
| HB11 | CB1 | HB12 | 110.1° | 109.5° |
| CD1 | CG | CD2 | 120.5° | 120.1° |
| CG | CD1 | CE1 | 120.8° | 120.0° |
| CG | CD1 | HD1 | 119.6° | 120.0° |
| CG | CD2 | CE2 | 119.2° | 120.0° |
| CG | CD2 | HD2 | 120.4° | 120.0° |
| CE1 | CD1 | HD1 | 119.6° | 120.0° |
| CD1 | CE1 | CZ | 118.3° | 120.0° |
| CD1 | CE1 | HE1 | 120.8° | 120.0° |
| CE2 | CD2 | HD2 | 120.4° | 120.0° |
| CD2 | CE2 | CZ | 119.7° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 120.8° | 120.0° |
| CE1 | CZ | CE2 | 121.5° | 119.9° |
| CE1 | CZ | OH | 119.1° | 120.1° |
| CZ | CE2 | HE2 | 120.2° | 120.0° |
| CE2 | CZ | OH | 119.4° | 120.1° |
| CZ | OH | HO | 109.5° | 114.0° |
| N2 | C | O | 124.0° | 120.0° |
| C | N2 | CA2 | 122.2° | 120.0° |
| C | N2 | HN2 | 118.9° | 120.0° |
| CB2 | CA2 | CT | 119.1° | 109.5° |
| CB2 | CA2 | N2 | 119.0° | 109.5° |
| CB2 | CA2 | HA2 | 127.3° | 109.4° |
| CA2 | CB2 | HB21 | 109.5° | 109.5° |
| CA2 | CB2 | HB22 | 109.5° | 109.5° |
| CA2 | CB2 | HB23 | 109.4° | 109.5° |
| CT | CA2 | N2 | 121.8° | 109.5° |
| CT | CA2 | HA2 | 72.8° | 109.5° |
| CA2 | CT | CM | 128.0° | 120.0° |
| CA2 | CT | OT | 121.9° | 120.0° |
| N2 | CA2 | HA2 | 74.7° | 109.5° |
| CA2 | N2 | HN2 | 118.9° | 120.0° |
| HB21 | CB2 | HB22 | 109.5° | 109.4° |
| HB21 | CB2 | HB23 | 109.5° | 109.4° |
| HB22 | CB2 | HB23 | 109.5° | 109.5° |
| CM | CT | OT | 110.0° | 120.0° |
| CT | CM | HM1 | 109.5° | 109.5° |
| CT | CM | F1 | 109.5° | 109.5° |
| CT | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | F1 | 109.4° | 109.4° |
| HM1 | CM | HM2 | 109.5° | 109.4° |
| F1 | CM | HM2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | O2 | 140.9° | 179.7° |
| N1 | C1 | O2 | C2 | 143.2° | 180.0° |
| C1 | N1 | CA1 | CB1 | 156.6° | 155.0° |
| C1 | N1 | CA1 | C | 81.9° | 85.0° |
| C1 | N1 | CA1 | HN1 | 180.0° | 180.0° |
| C1 | N1 | CA1 | HA1 | 37.1° | 35.0° |
| O1 | C1 | O2 | C2 | 1.0° | 0.3° |
| O1 | C1 | N1 | CA1 | 38.0° | 0.0° |
| O1 | C1 | N1 | HN1 | 142.0° | 180.0° |
| C1 | O2 | C2 | C3 | 152.3° | 180.0° |
| C1 | O2 | C2 | H21 | 32.3° | 59.9° |
| C1 | O2 | C2 | H22 | 87.7° | 60.0° |
| O2 | C1 | N1 | CA1 | 176.7° | 179.7° |
| O2 | C1 | N1 | HN1 | 3.3° | 0.3° |
| C3 | C2 | O2 | H21 | 120.0° | 120.1° |
| C3 | C2 | O2 | H22 | 120.0° | 120.0° |
| C3 | C2 | H21 | H22 | 106.9° | 119.9° |
| C2 | C3 | C4 | C8 | 172.0° | 179.7° |
| C2 | C3 | C4 | C5 | 171.0° | 180.0° |
| C2 | C3 | C4 | H4 | 9.0° | 0.0° |
| C2 | C3 | C8 | C7 | 170.7° | 179.8° |
| C2 | C3 | C8 | H8 | 9.4° | 0.0° |
| O2 | C2 | H21 | H22 | 106.9° | 120.0° |
| O2 | C2 | C3 | C4 | 62.5° | 90.0° |
| O2 | C2 | C3 | C8 | 109.6° | 90.3° |
| H21 | C2 | C3 | C4 | 177.5° | 150.0° |
| H21 | C2 | C3 | C8 | 10.4° | 29.8° |
| H22 | C2 | C3 | C4 | 57.5° | 30.0° |
| H22 | C2 | C3 | C8 | 130.4° | 149.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C8 | C7 | 1.1° | 0.5° |
| C4 | C3 | C8 | H8 | 178.9° | 179.8° |
| C8 | C3 | C4 | C5 | 1.0° | 0.3° |
| C8 | C3 | C4 | H4 | 179.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.3° | 0.4° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C3 | C8 | C7 | H7 | 179.7° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.9° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.7° | 0.2° |
| C5 | C6 | C7 | H7 | 179.3° | 179.9° |
| H5 | C5 | C6 | C7 | 179.2° | 180.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8 | 179.7° | 179.8° |
| H6 | C6 | C7 | C8 | 179.3° | 179.9° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| CB1 | CA1 | C | N1 | 120.7° | 120.0° |
| CB1 | CA1 | C | HA1 | 119.5° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 119.5° | 120.0° |
| CA1 | CB1 | CG | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 119.2° | 120.0° |
| CA1 | CB1 | CG | CD1 | 51.5° | 90.0° |
| CA1 | CB1 | CG | CD2 | 124.0° | 90.3° |
| CB1 | CA1 | C | N2 | 109.3° | 60.0° |
| CB1 | CA1 | C | O | 48.0° | 120.0° |
| CB1 | CA1 | N1 | HN1 | 23.4° | 25.0° |
| C | CA1 | N1 | HA1 | 119.1° | 120.0° |
| C | CA1 | CB1 | CG | 168.7° | 175.0° |
| C | CA1 | CB1 | HB11 | 48.7° | 65.0° |
| C | CA1 | CB1 | HB12 | 71.3° | 55.0° |
| CA1 | C | N2 | O | 156.8° | 179.9° |
| CA1 | C | N2 | CA2 | 159.9° | 180.0° |
| C | CA1 | N1 | HN1 | 98.1° | 95.0° |
| CA1 | C | N2 | HN2 | 20.1° | 0.0° |
| N1 | CA1 | CB1 | CG | 47.6° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 72.4° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 167.6° | 175.0° |
| N1 | CA1 | C | N2 | 130.1° | 180.0° |
| N1 | CA1 | C | O | 72.7° | 0.0° |
| HA1 | CA1 | CB1 | CG | 72.3° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 167.7° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 47.7° | 65.0° |
| HA1 | CA1 | C | N2 | 10.2° | 60.1° |
| HA1 | CA1 | C | O | 167.5° | 120.0° |
| HA1 | CA1 | N1 | HN1 | 142.9° | 145.0° |
| CG | CB1 | HB11 | HB12 | 119.2° | 120.0° |
| CB1 | CG | CD1 | CD2 | 175.5° | 179.7° |
| CB1 | CG | CD1 | CE1 | 175.3° | 180.0° |
| CB1 | CG | CD1 | HD1 | 4.7° | 0.0° |
| CB1 | CG | CD2 | CE2 | 175.4° | 180.0° |
| CB1 | CG | CD2 | HD2 | 4.6° | 0.1° |
| HB11 | CB1 | CG | CD1 | 171.5° | 30.0° |
| HB11 | CB1 | CG | CD2 | 4.0° | 149.7° |
| HB12 | CB1 | CG | CD1 | 68.5° | 150.0° |
| HB12 | CB1 | CG | CD2 | 116.0° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.4° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.8° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.7° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 1.0° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.5° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.6° | 0.0° |
| CE1 | CZ | CE2 | OH | 178.8° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.0° | 179.7° |
| CE1 | CZ | OH | HO | 180.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 179.1° | 179.7° |
| HE1 | CE1 | CZ | OH | 0.3° | 0.1° |
| CE2 | CZ | OH | HO | 1.1° | 89.7° |
| HE2 | CE2 | CZ | OH | 0.2° | 0.0° |
| C | N2 | CA2 | CB2 | 117.2° | 85.0° |
| C | N2 | CA2 | CT | 65.2° | 155.0° |
| C | N2 | CA2 | HN2 | 180.0° | 180.0° |
| C | N2 | CA2 | HA2 | 7.3° | 35.0° |
| O | C | N2 | CA2 | 3.0° | 0.0° |
| O | C | N2 | HN2 | 177.0° | 180.0° |
| CB2 | CA2 | CT | N2 | 177.6° | 120.0° |
| CB2 | CA2 | CT | HA2 | 123.6° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 124.5° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | HB21 | HB23 | 120.0° | 120.0° |
| CA2 | CB2 | HB22 | HB23 | 120.0° | 120.1° |
| CB2 | CA2 | CT | CM | 149.9° | 75.0° |
| CB2 | CA2 | CT | OT | 32.9° | 105.0° |
| CB2 | CA2 | N2 | HN2 | 62.8° | 95.0° |
| CT | CA2 | N2 | HA2 | 57.9° | 120.0° |
| CT | CA2 | CB2 | HB21 | 180.0° | 180.0° |
| CT | CA2 | CB2 | HB22 | 60.0° | 60.0° |
| CT | CA2 | CB2 | HB23 | 60.0° | 60.0° |
| CA2 | CT | CM | OT | 177.5° | 179.9° |
| CA2 | CT | CM | HM1 | 57.5° | 60.0° |
| CA2 | CT | CM | F1 | 62.5° | 180.0° |
| CA2 | CT | CM | HM2 | 177.5° | 60.0° |
| CT | CA2 | N2 | HN2 | 114.8° | 25.0° |
| N2 | CA2 | CB2 | HB21 | 2.4° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 117.6° | 60.0° |
| N2 | CA2 | CB2 | HB23 | 122.4° | 180.0° |
| N2 | CA2 | CT | CM | 27.7° | 165.0° |
| N2 | CA2 | CT | OT | 149.6° | 15.0° |
| HA2 | CA2 | CB2 | HB21 | 90.1° | 60.0° |
| HA2 | CA2 | CB2 | HB22 | 149.9° | 180.0° |
| HA2 | CA2 | CB2 | HB23 | 29.9° | 60.0° |
| HA2 | CA2 | CT | CM | 86.5° | 45.0° |
| HA2 | CA2 | CT | OT | 90.7° | 135.1° |
| HA2 | CA2 | N2 | HN2 | 172.7° | 145.0° |
| HB21 | CB2 | HB22 | HB23 | 120.0° | 119.9° |
| CT | CM | HM1 | F1 | 120.0° | 120.0° |
| CT | CM | HM1 | HM2 | 120.0° | 120.0° |
| CT | CM | F1 | HM2 | 120.0° | 120.0° |
| OT | CT | CM | HM1 | 120.0° | 119.9° |
| OT | CT | CM | F1 | 120.0° | 0.0° |
| OT | CT | CM | HM2 | 0.0° | 120.1° |
| HM1 | CM | F1 | HM2 | 120.0° | 120.0° |
