44Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM1 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | CZ3 | sing | 1.36Å | 1.38Å | |
| CZ3 | CE5 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ3 | CE6 | sing | 1.39Å | 1.39Å | Aromatic |
| CE5 | CD5 | sing | 1.38Å | 1.39Å | Aromatic |
| CE6 | CD6 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | CM2 | sing | 1.53Å | 1.54Å | |
| C9 | CM3 | sing | 1.53Å | 1.53Å | |
| C9 | O6 | sing | 1.43Å | 1.45Å | |
| CD6 | O6 | sing | 1.36Å | 1.38Å | |
| CD6 | CG3 | sing | 1.40Å | 1.41Å | Aromatic |
| CD5 | CG3 | doub | 1.40Å | 1.40Å | Aromatic |
| CG3 | C6 | sing | 1.48Å | 1.49Å | |
| C6 | N | doub | 1.29Å | 1.28Å | |
| C6 | N3 | sing | 1.38Å | 1.42Å | |
| N | C7 | sing | 1.47Å | 1.49Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C4 | sing | 1.50Å | 1.53Å | |
| C1 | N1 | sing | 1.33Å | 1.34Å | |
| C4 | N2 | sing | 1.47Å | 1.50Å | |
| CE1 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CZ1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CG1 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| CD3 | CE3 | doub | 1.38Å | 1.39Å | Aromatic |
| CD3 | CG2 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| C5 | O5 | doub | 1.21Å | 1.22Å | |
| CE3 | CZ2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | CG2 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| CG2 | CD4 | doub | 1.38Å | 1.40Å | Aromatic |
| CL | CZ1 | sing | 1.74Å | 1.73Å | |
| CZ1 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CG1 | C8 | sing | 1.51Å | 1.53Å | |
| CG1 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ2 | CE4 | doub | 1.39Å | 1.39Å | Aromatic |
| CD4 | CE4 | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE4 | O4 | sing | 1.36Å | 1.38Å | |
| O4 | CM4 | sing | 1.43Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CD4 | HD4 | sing | 1.08Å | 1.08Å | |
| CD5 | HD5 | sing | 1.08Å | 1.08Å | |
| CE5 | HE5 | sing | 1.08Å | 1.08Å | |
| CE6 | HE6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM3 | HM33 | sing | 1.09Å | 1.10Å | |
| CM3 | HM32 | sing | 1.09Å | 1.10Å | |
| CM3 | HM31 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM1 | O3 | CZ3 | 122.7° | 117.0° |
| O3 | CM1 | HM12 | 109.5° | 109.5° |
| O3 | CM1 | HM13 | 109.5° | 109.5° |
| O3 | CM1 | HM11 | 109.5° | 109.4° |
| O3 | CZ3 | CE5 | 123.0° | 119.8° |
| O3 | CZ3 | CE6 | 117.7° | 119.9° |
| CE5 | CZ3 | CE6 | 119.1° | 120.3° |
| CZ3 | CE5 | CD5 | 120.6° | 120.2° |
| CZ3 | CE5 | HE5 | 119.7° | 120.0° |
| CZ3 | CE6 | CD6 | 120.8° | 120.0° |
| CZ3 | CE6 | HE6 | 119.6° | 120.0° |
| CE5 | CD5 | CG3 | 120.9° | 120.0° |
| CE5 | CD5 | HD5 | 119.5° | 120.0° |
| CD5 | CE5 | HE5 | 119.7° | 119.9° |
| CE6 | CD6 | O6 | 119.4° | 120.1° |
| CE6 | CD6 | CG3 | 120.1° | 119.8° |
| CD6 | CE6 | HE6 | 119.6° | 120.0° |
| CM2 | C9 | CM3 | 111.5° | 109.5° |
| CM2 | C9 | O6 | 109.2° | 109.5° |
| CM2 | C9 | H9 | 109.0° | 109.5° |
| C9 | CM2 | HM23 | 109.5° | 109.5° |
| C9 | CM2 | HM21 | 109.4° | 109.5° |
| C9 | CM2 | HM22 | 109.5° | 109.4° |
| CM3 | C9 | O6 | 107.8° | 109.5° |
| CM3 | C9 | H9 | 109.1° | 109.5° |
| C9 | CM3 | HM33 | 109.5° | 109.4° |
| C9 | CM3 | HM32 | 109.5° | 109.4° |
| C9 | CM3 | HM31 | 109.5° | 109.5° |
| C9 | O6 | CD6 | 122.8° | 117.0° |
| O6 | C9 | H9 | 110.2° | 109.5° |
| O6 | CD6 | CG3 | 120.2° | 120.1° |
| CD6 | CG3 | CD5 | 118.3° | 119.7° |
| CD6 | CG3 | C6 | 124.5° | 120.1° |
| CD5 | CG3 | C6 | 117.2° | 120.1° |
| CG3 | CD5 | HD5 | 119.6° | 120.0° |
| CG3 | C6 | N | 121.3° | 123.0° |
| CG3 | C6 | N3 | 123.7° | 123.0° |
| N | C6 | N3 | 115.0° | 114.0° |
| C6 | N | C7 | 110.0° | 110.2° |
| C6 | N3 | C5 | 134.8° | 125.8° |
| C6 | N3 | C8 | 105.1° | 108.3° |
| N | C7 | CG2 | 115.9° | 110.5° |
| N | C7 | C8 | 102.2° | 104.2° |
| N | C7 | H7 | 108.7° | 110.5° |
| O1 | C1 | C4 | 123.4° | 118.5° |
| O1 | C1 | N1 | 118.1° | 118.5° |
| N2 | C3 | C2 | 112.6° | 108.1° |
| C3 | N2 | C4 | 114.6° | 117.3° |
| C3 | N2 | C5 | 125.2° | 121.4° |
| N2 | C3 | H32 | 108.7° | 109.7° |
| N2 | C3 | H31 | 108.7° | 109.7° |
| C3 | C2 | N1 | 111.9° | 110.7° |
| C3 | C2 | H21 | 108.9° | 109.3° |
| C3 | C2 | H22 | 108.9° | 109.2° |
| C2 | C3 | H32 | 108.7° | 109.7° |
| C2 | C3 | H31 | 108.6° | 109.8° |
| C4 | C1 | N1 | 118.5° | 123.0° |
| C1 | C4 | N2 | 118.8° | 108.9° |
| C1 | C4 | H42 | 107.1° | 109.5° |
| C1 | C4 | H41 | 107.1° | 109.5° |
| C1 | N1 | C2 | 123.7° | 124.6° |
| C1 | N1 | H1 | 118.1° | 117.7° |
| C4 | N2 | C5 | 120.0° | 121.4° |
| N2 | C4 | H42 | 107.1° | 109.6° |
| N2 | C4 | H41 | 107.1° | 109.6° |
| CD1 | CE1 | CZ1 | 120.2° | 120.0° |
| CE1 | CD1 | CG1 | 119.8° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CZ1 | CL | 119.5° | 120.0° |
| CE1 | CZ1 | CE2 | 120.0° | 120.0° |
| CZ1 | CE1 | HE1 | 119.9° | 120.0° |
| CD1 | CG1 | C8 | 122.1° | 120.0° |
| CD1 | CG1 | CD2 | 119.2° | 120.0° |
| CG1 | CD1 | HD1 | 120.1° | 120.0° |
| N2 | C5 | N3 | 119.9° | 120.0° |
| N2 | C5 | O5 | 119.6° | 120.0° |
| C2 | N1 | H1 | 118.1° | 117.7° |
| N1 | C2 | H21 | 108.9° | 109.2° |
| N1 | C2 | H22 | 108.9° | 109.2° |
| CE3 | CD3 | CG2 | 120.3° | 120.1° |
| CD3 | CE3 | CZ2 | 120.4° | 120.0° |
| CE3 | CD3 | HD3 | 119.8° | 119.9° |
| CD3 | CE3 | HE3 | 119.8° | 120.0° |
| CD3 | CG2 | C7 | 121.0° | 120.0° |
| CD3 | CG2 | CD4 | 118.0° | 120.0° |
| CG2 | CD3 | HD3 | 119.9° | 119.9° |
| C5 | N3 | C8 | 119.3° | 125.9° |
| N3 | C5 | O5 | 120.4° | 120.0° |
| N3 | C8 | C7 | 104.3° | 103.3° |
| N3 | C8 | CG1 | 114.1° | 110.7° |
| N3 | C8 | H8 | 109.2° | 110.7° |
| CE3 | CZ2 | CE4 | 119.6° | 120.0° |
| CZ2 | CE3 | HE3 | 119.8° | 120.0° |
| CE3 | CZ2 | HZ2 | 120.2° | 120.0° |
| CG2 | C7 | C8 | 113.9° | 110.5° |
| C7 | CG2 | CD4 | 120.3° | 120.0° |
| CG2 | C7 | H7 | 108.0° | 110.4° |
| C7 | C8 | CG1 | 112.7° | 110.6° |
| C8 | C7 | H7 | 107.7° | 110.6° |
| C7 | C8 | H8 | 107.9° | 110.6° |
| CG2 | CD4 | CE4 | 121.9° | 120.0° |
| CG2 | CD4 | HD4 | 119.1° | 120.0° |
| CL | CZ1 | CE2 | 120.3° | 120.0° |
| CZ1 | CE2 | CD2 | 119.3° | 120.0° |
| CZ1 | CE2 | HE2 | 120.4° | 120.0° |
| C8 | CG1 | CD2 | 118.0° | 120.0° |
| CG1 | C8 | H8 | 108.4° | 110.7° |
| CG1 | CD2 | CE2 | 121.4° | 120.0° |
| CG1 | CD2 | HD2 | 119.3° | 120.0° |
| CZ2 | CE4 | CD4 | 119.3° | 119.9° |
| CZ2 | CE4 | O4 | 123.2° | 120.1° |
| CE4 | CZ2 | HZ2 | 120.2° | 120.0° |
| CD4 | CE4 | O4 | 117.4° | 120.1° |
| CE4 | CD4 | HD4 | 119.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CD2 | HD2 | 119.3° | 119.9° |
| CE4 | O4 | CM4 | 123.1° | 117.0° |
| O4 | CM4 | HM43 | 109.5° | 109.5° |
| O4 | CM4 | HM42 | 109.5° | 109.5° |
| O4 | CM4 | HM41 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.4° | 109.2° |
| H32 | C3 | H31 | 109.5° | 109.8° |
| H42 | C4 | H41 | 109.5° | 109.7° |
| HM23 | CM2 | HM21 | 109.4° | 109.5° |
| HM23 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM33 | CM3 | HM32 | 109.5° | 109.5° |
| HM33 | CM3 | HM31 | 109.4° | 109.5° |
| HM32 | CM3 | HM31 | 109.5° | 109.5° |
| HM12 | CM1 | HM13 | 109.4° | 109.5° |
| HM12 | CM1 | HM11 | 109.4° | 109.5° |
| HM13 | CM1 | HM11 | 109.5° | 109.5° |
| HM43 | CM4 | HM42 | 109.5° | 109.5° |
| HM43 | CM4 | HM41 | 109.5° | 109.4° |
| HM42 | CM4 | HM41 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM1 | O3 | CZ3 | CE5 | 1.4° | 0.0° |
| CM1 | O3 | CZ3 | CE6 | 177.9° | 180.0° |
| O3 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| O3 | CM1 | HM12 | HM11 | 120.0° | 120.0° |
| O3 | CM1 | HM13 | HM11 | 120.0° | 119.9° |
| O3 | CZ3 | CE5 | CE6 | 176.4° | 180.0° |
| O3 | CZ3 | CE5 | CD5 | 178.2° | 180.0° |
| O3 | CZ3 | CE6 | CD6 | 175.2° | 179.8° |
| O3 | CZ3 | CE5 | HE5 | 1.8° | 0.0° |
| O3 | CZ3 | CE6 | HE6 | 4.8° | 0.0° |
| CZ3 | O3 | CM1 | HM12 | 180.0° | 60.0° |
| CZ3 | O3 | CM1 | HM13 | 60.0° | 60.1° |
| CZ3 | O3 | CM1 | HM11 | 60.0° | 180.0° |
| CZ3 | CE5 | CD5 | HE5 | 180.0° | 179.9° |
| CE5 | CZ3 | CE6 | CD6 | 1.3° | 0.2° |
| CZ3 | CE5 | CD5 | CG3 | 1.9° | 0.0° |
| CZ3 | CE5 | CD5 | HD5 | 178.1° | 179.9° |
| CE5 | CZ3 | CE6 | HE6 | 178.6° | 180.0° |
| CE6 | CZ3 | CE5 | CD5 | 1.8° | 0.0° |
| CZ3 | CE6 | CD6 | HE6 | 180.0° | 179.8° |
| CZ3 | CE6 | CD6 | O6 | 170.0° | 180.0° |
| CZ3 | CE6 | CD6 | CG3 | 4.4° | 0.5° |
| CE6 | CZ3 | CE5 | HE5 | 178.2° | 180.0° |
| CE5 | CD5 | CG3 | CD6 | 1.1° | 0.3° |
| CE5 | CD5 | CG3 | HD5 | 180.0° | 179.9° |
| CE5 | CD5 | CG3 | C6 | 179.4° | 180.0° |
| CE6 | CD6 | O6 | C9 | 25.3° | 4.5° |
| CE6 | CD6 | O6 | CG3 | 174.4° | 179.5° |
| CE6 | CD6 | CG3 | CD5 | 4.2° | 0.5° |
| CE6 | CD6 | CG3 | C6 | 177.7° | 179.7° |
| CM2 | C9 | CM3 | O6 | 119.8° | 120.0° |
| CM2 | C9 | CM3 | H9 | 120.4° | 120.0° |
| CM2 | C9 | O6 | H9 | 119.7° | 120.0° |
| CM2 | C9 | O6 | CD6 | 105.7° | 155.9° |
| C9 | CM2 | HM23 | HM21 | 120.0° | 120.0° |
| C9 | CM2 | HM23 | HM22 | 120.0° | 120.0° |
| C9 | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| CM2 | C9 | CM3 | HM33 | 180.0° | 60.1° |
| CM2 | C9 | CM3 | HM32 | 60.0° | 180.0° |
| CM2 | C9 | CM3 | HM31 | 60.0° | 60.0° |
| CM3 | C9 | O6 | H9 | 119.0° | 120.0° |
| CM3 | C9 | O6 | CD6 | 132.9° | 84.1° |
| CM3 | C9 | CM2 | HM23 | 180.0° | 60.0° |
| CM3 | C9 | CM2 | HM21 | 60.0° | 180.0° |
| CM3 | C9 | CM2 | HM22 | 60.0° | 60.0° |
| C9 | CM3 | HM33 | HM32 | 120.0° | 119.9° |
| C9 | CM3 | HM33 | HM31 | 120.0° | 120.0° |
| C9 | CM3 | HM32 | HM31 | 120.0° | 120.0° |
| C9 | O6 | CD6 | CG3 | 149.1° | 175.0° |
| O6 | C9 | CM2 | HM23 | 61.0° | 180.0° |
| O6 | C9 | CM2 | HM21 | 59.0° | 60.0° |
| O6 | C9 | CM2 | HM22 | 179.0° | 60.0° |
| O6 | C9 | CM3 | HM33 | 60.1° | 60.0° |
| O6 | C9 | CM3 | HM32 | 179.8° | 60.0° |
| O6 | C9 | CM3 | HM31 | 59.8° | 180.0° |
| O6 | CD6 | CG3 | CD5 | 170.1° | 180.0° |
| O6 | CD6 | CG3 | C6 | 8.0° | 0.2° |
| O6 | CD6 | CE6 | HE6 | 10.0° | 0.2° |
| CD6 | O6 | C9 | H9 | 13.9° | 35.9° |
| CD6 | CG3 | CD5 | C6 | 178.3° | 179.8° |
| CD6 | CG3 | C6 | N | 150.0° | 122.5° |
| CD6 | CG3 | C6 | N3 | 28.3° | 57.6° |
| CD6 | CG3 | CD5 | HD5 | 178.9° | 179.8° |
| CG3 | CD6 | CE6 | HE6 | 175.6° | 179.7° |
| CD5 | CG3 | C6 | N | 28.1° | 57.8° |
| CD5 | CG3 | C6 | N3 | 153.6° | 122.2° |
| CG3 | CD5 | CE5 | HE5 | 178.1° | 180.0° |
| CG3 | C6 | N | N3 | 178.4° | 180.0° |
| CG3 | C6 | N | C7 | 175.5° | 180.0° |
| CG3 | C6 | N3 | C5 | 25.8° | 0.1° |
| CG3 | C6 | N3 | C8 | 164.4° | 180.0° |
| C6 | CG3 | CD5 | HD5 | 0.7° | 0.1° |
| N | C6 | N3 | C5 | 155.8° | 180.0° |
| N | C6 | N3 | C8 | 13.9° | 0.0° |
| C6 | N | C7 | CG2 | 133.1° | 118.6° |
| C6 | N | C7 | C8 | 8.6° | 0.0° |
| C6 | N | C7 | H7 | 105.1° | 118.8° |
| N3 | C6 | N | C7 | 2.9° | 0.0° |
| C6 | N3 | C5 | N2 | 24.9° | 173.7° |
| C6 | N3 | C5 | C8 | 168.6° | 179.9° |
| C6 | N3 | C5 | O5 | 157.9° | 6.4° |
| C6 | N3 | C8 | C7 | 17.9° | 0.0° |
| C6 | N3 | C8 | CG1 | 105.5° | 118.4° |
| C6 | N3 | C8 | H8 | 133.1° | 118.5° |
| N | C7 | CG2 | CD3 | 44.6° | 38.8° |
| N | C7 | C8 | N3 | 16.2° | 0.0° |
| N | C7 | CG2 | C8 | 118.2° | 114.8° |
| N | C7 | CG2 | H7 | 122.1° | 122.6° |
| N | C7 | C8 | H7 | 114.4° | 118.8° |
| N | C7 | CG2 | CD4 | 144.9° | 141.4° |
| N | C7 | C8 | CG1 | 108.1° | 118.5° |
| N | C7 | C8 | H8 | 132.2° | 118.5° |
| O1 | C1 | C4 | N1 | 179.9° | 179.7° |
| O1 | C1 | C4 | N2 | 169.4° | 167.6° |
| O1 | C1 | N1 | C2 | 177.7° | 175.9° |
| O1 | C1 | N1 | H1 | 2.3° | 4.0° |
| O1 | C1 | C4 | H42 | 48.1° | 72.6° |
| O1 | C1 | C4 | H41 | 69.2° | 47.8° |
| N2 | C3 | C2 | H32 | 120.5° | 119.6° |
| N2 | C3 | C2 | H31 | 120.5° | 119.7° |
| C3 | N2 | C4 | C1 | 13.6° | 42.8° |
| C3 | N2 | C4 | C5 | 175.5° | 179.9° |
| N2 | C3 | C2 | N1 | 50.8° | 46.8° |
| C3 | N2 | C5 | N3 | 23.9° | 169.3° |
| C3 | N2 | C5 | O5 | 153.3° | 10.8° |
| N2 | C3 | C2 | H21 | 171.2° | 73.6° |
| N2 | C3 | C2 | H22 | 69.6° | 167.1° |
| N2 | C3 | H32 | H31 | 118.6° | 120.7° |
| C3 | N2 | C4 | H42 | 107.7° | 77.0° |
| C3 | N2 | C4 | H41 | 134.9° | 162.6° |
| C3 | C2 | N1 | C1 | 27.9° | 22.0° |
| C2 | C3 | N2 | C4 | 43.6° | 61.6° |
| C2 | C3 | N2 | C5 | 131.7° | 118.5° |
| C3 | C2 | N1 | H21 | 120.4° | 120.4° |
| C3 | C2 | N1 | H22 | 120.4° | 120.2° |
| C3 | C2 | N1 | H1 | 152.1° | 158.0° |
| C3 | C2 | H21 | H22 | 118.9° | 119.3° |
| C2 | C3 | H32 | H31 | 118.5° | 120.7° |
| C1 | C4 | N2 | H42 | 121.3° | 119.8° |
| C1 | C4 | N2 | H41 | 121.3° | 119.8° |
| C1 | C4 | N2 | C5 | 161.9° | 137.3° |
| C4 | C1 | N1 | C2 | 2.5° | 4.4° |
| C4 | C1 | N1 | H1 | 177.5° | 175.7° |
| C1 | C4 | H42 | H41 | 115.8° | 120.2° |
| N1 | C1 | C4 | N2 | 10.7° | 12.7° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | H21 | 148.3° | 98.4° |
| C1 | N1 | C2 | H22 | 92.5° | 142.2° |
| N1 | C1 | C4 | H42 | 132.0° | 107.1° |
| N1 | C1 | C4 | H41 | 110.6° | 132.6° |
| C4 | N2 | C5 | N3 | 161.1° | 10.6° |
| C4 | N2 | C5 | O5 | 21.7° | 169.3° |
| C4 | N2 | C3 | H32 | 76.9° | 178.8° |
| C4 | N2 | C3 | H31 | 164.0° | 58.1° |
| N2 | C4 | H42 | H41 | 115.8° | 120.4° |
| CD1 | CE1 | CZ1 | HE1 | 180.0° | 180.0° |
| CE1 | CD1 | CG1 | HD1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ1 | CL | 174.7° | 180.0° |
| CD1 | CE1 | CZ1 | CE2 | 1.8° | 0.1° |
| CE1 | CD1 | CG1 | C8 | 170.2° | 180.0° |
| CE1 | CD1 | CG1 | CD2 | 0.2° | 0.3° |
| CZ1 | CE1 | CD1 | CG1 | 2.3° | 0.0° |
| CE1 | CZ1 | CL | CE2 | 176.5° | 179.9° |
| CE1 | CZ1 | CE2 | CD2 | 0.8° | 0.2° |
| CZ1 | CE1 | CD1 | HD1 | 177.7° | 180.0° |
| CE1 | CZ1 | CE2 | HE2 | 179.2° | 180.0° |
| CD1 | CG1 | C8 | N3 | 33.0° | 38.3° |
| CD1 | CG1 | C8 | C7 | 85.7° | 75.6° |
| CD1 | CG1 | C8 | CD2 | 170.1° | 179.7° |
| CD1 | CG1 | CD2 | CE2 | 2.5° | 0.6° |
| CD1 | CG1 | C8 | H8 | 154.9° | 161.3° |
| CG1 | CD1 | CE1 | HE1 | 177.8° | 180.0° |
| CD1 | CG1 | CD2 | HD2 | 177.5° | 179.7° |
| N2 | C5 | N3 | O5 | 177.2° | 179.9° |
| N2 | C5 | N3 | C8 | 143.8° | 6.2° |
| C5 | N2 | C3 | H32 | 107.8° | 1.1° |
| C5 | N2 | C3 | H31 | 11.2° | 121.8° |
| C5 | N2 | C4 | H42 | 76.8° | 102.9° |
| C5 | N2 | C4 | H41 | 40.6° | 17.5° |
| N1 | C2 | H21 | H22 | 118.9° | 119.4° |
| N1 | C2 | C3 | H32 | 69.7° | 166.4° |
| N1 | C2 | C3 | H31 | 171.3° | 72.9° |
| CE3 | CD3 | CG2 | HD3 | 180.0° | 179.9° |
| CD3 | CE3 | CZ2 | HE3 | 180.0° | 180.0° |
| CE3 | CD3 | CG2 | C7 | 162.2° | 180.0° |
| CE3 | CD3 | CG2 | CD4 | 8.5° | 0.3° |
| CD3 | CE3 | CZ2 | CE4 | 1.3° | 0.0° |
| CD3 | CE3 | CZ2 | HZ2 | 178.7° | 180.0° |
| CG2 | CD3 | CE3 | CZ2 | 5.7° | 0.0° |
| CD3 | CG2 | C7 | CD4 | 170.5° | 179.8° |
| CD3 | CG2 | C7 | C8 | 73.6° | 76.0° |
| CD3 | CG2 | CD4 | CE4 | 4.5° | 0.5° |
| CD3 | CG2 | C7 | H7 | 166.7° | 161.4° |
| CG2 | CD3 | CE3 | HE3 | 174.3° | 180.0° |
| CD3 | CG2 | CD4 | HD4 | 175.5° | 179.7° |
| C5 | N3 | C8 | C7 | 153.8° | 179.9° |
| C5 | N3 | C8 | CG1 | 82.8° | 61.5° |
| C5 | N3 | C8 | H8 | 38.6° | 61.6° |
| C8 | N3 | C5 | O5 | 33.4° | 173.7° |
| N3 | C8 | C7 | CG2 | 141.9° | 118.7° |
| N3 | C8 | C7 | CG1 | 124.3° | 118.5° |
| N3 | C8 | C7 | H8 | 116.1° | 118.5° |
| N3 | C8 | CG1 | H8 | 121.9° | 123.1° |
| N3 | C8 | CG1 | CD2 | 156.9° | 141.4° |
| N3 | C8 | C7 | H7 | 98.3° | 118.8° |
| CE3 | CZ2 | CE4 | HZ2 | 180.0° | 180.0° |
| CE3 | CZ2 | CE4 | CD4 | 5.3° | 0.2° |
| CE3 | CZ2 | CE4 | O4 | 178.2° | 179.9° |
| CZ2 | CE3 | CD3 | HD3 | 174.3° | 180.0° |
| CG2 | C7 | C8 | H7 | 119.8° | 122.5° |
| CG2 | C7 | C8 | CG1 | 17.7° | 0.3° |
| C7 | CG2 | CD4 | CE4 | 166.2° | 179.8° |
| CG2 | C7 | C8 | H8 | 102.0° | 122.8° |
| C7 | CG2 | CD3 | HD3 | 17.8° | 0.1° |
| C7 | CG2 | CD4 | HD4 | 13.8° | 0.1° |
| C8 | C7 | CG2 | CD4 | 96.9° | 103.8° |
| C7 | C8 | CG1 | H8 | 119.4° | 123.0° |
| C7 | C8 | CG1 | CD2 | 84.4° | 104.7° |
| CG2 | CD4 | CE4 | CZ2 | 2.4° | 0.4° |
| CG2 | CD4 | CE4 | HD4 | 180.0° | 179.9° |
| CG2 | CD4 | CE4 | O4 | 179.0° | 179.7° |
| CD4 | CG2 | C7 | H7 | 22.8° | 18.8° |
| CD4 | CG2 | CD3 | HD3 | 171.5° | 179.8° |
| CL | CZ1 | CE2 | CD2 | 177.3° | 179.7° |
| CL | CZ1 | CE1 | HE1 | 5.3° | 0.1° |
| CL | CZ1 | CE2 | HE2 | 2.7° | 0.1° |
| CZ1 | CE2 | CD2 | CG1 | 3.0° | 0.5° |
| CZ1 | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CE2 | CZ1 | CE1 | HE1 | 178.3° | 180.0° |
| CZ1 | CE2 | CD2 | HD2 | 177.0° | 179.8° |
| C8 | CG1 | CD2 | CE2 | 167.9° | 179.8° |
| CG1 | C8 | C7 | H7 | 137.5° | 122.8° |
| C8 | CG1 | CD1 | HD1 | 9.8° | 0.0° |
| C8 | CG1 | CD2 | HD2 | 12.1° | 0.0° |
| CG1 | CD2 | CE2 | HD2 | 180.0° | 179.7° |
| CD2 | CG1 | C8 | H8 | 35.0° | 18.3° |
| CD2 | CG1 | CD1 | HD1 | 179.8° | 179.7° |
| CG1 | CD2 | CE2 | HE2 | 177.0° | 179.7° |
| CZ2 | CE4 | CD4 | O4 | 176.7° | 179.9° |
| CZ2 | CE4 | O4 | CM4 | 15.1° | 0.1° |
| CE4 | CZ2 | CE3 | HE3 | 178.7° | 180.0° |
| CZ2 | CE4 | CD4 | HD4 | 177.6° | 179.7° |
| CD4 | CE4 | O4 | CM4 | 168.3° | 179.8° |
| CD4 | CE4 | CZ2 | HZ2 | 174.7° | 179.9° |
| O4 | CE4 | CZ2 | HZ2 | 1.8° | 0.0° |
| O4 | CE4 | CD4 | HD4 | 1.0° | 0.2° |
| CE4 | O4 | CM4 | HM43 | 180.0° | 180.0° |
| CE4 | O4 | CM4 | HM42 | 60.0° | 60.0° |
| CE4 | O4 | CM4 | HM41 | 60.0° | 60.0° |
| O4 | CM4 | HM43 | HM42 | 120.0° | 120.0° |
| O4 | CM4 | HM43 | HM41 | 120.0° | 120.0° |
| O4 | CM4 | HM42 | HM41 | 120.0° | 120.0° |
| H1 | N1 | C2 | H21 | 31.7° | 81.5° |
| H1 | N1 | C2 | H22 | 87.6° | 37.8° |
| H21 | C2 | C3 | H32 | 50.7° | 46.0° |
| H21 | C2 | C3 | H31 | 68.4° | 166.7° |
| H22 | C2 | C3 | H32 | 169.9° | 73.3° |
| H22 | C2 | C3 | H31 | 50.9° | 47.4° |
| H7 | C7 | C8 | H8 | 17.8° | 0.3° |
| HD1 | CD1 | CE1 | HE1 | 2.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 3.0° | 0.1° |
| HD3 | CD3 | CE3 | HE3 | 5.7° | 0.1° |
| HE3 | CE3 | CZ2 | HZ2 | 1.3° | 0.1° |
| HD5 | CD5 | CE5 | HE5 | 1.9° | 0.0° |
| H9 | C9 | CM2 | HM23 | 59.5° | 60.0° |
| H9 | C9 | CM2 | HM21 | 179.5° | 60.0° |
| H9 | C9 | CM2 | HM22 | 60.5° | 180.0° |
| H9 | C9 | CM3 | HM33 | 59.6° | 180.0° |
| H9 | C9 | CM3 | HM32 | 60.4° | 60.0° |
| H9 | C9 | CM3 | HM31 | 179.5° | 60.0° |
| HM23 | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| HM33 | CM3 | HM32 | HM31 | 119.9° | 120.1° |
| HM12 | CM1 | HM13 | HM11 | 119.9° | 120.0° |
| HM43 | CM4 | HM42 | HM41 | 120.0° | 120.0° |
