48M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C6 | doub | 1.29Å | 1.28Å | |
| N | C7 | sing | 1.47Å | 1.48Å | |
| CG1 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG1 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CG1 | C8 | sing | 1.51Å | 1.53Å | |
| CG2 | CD3 | doub | 1.38Å | 1.40Å | Aromatic |
| CG2 | CD4 | sing | 1.38Å | 1.39Å | Aromatic |
| CG2 | C7 | sing | 1.51Å | 1.53Å | |
| CG3 | CD5 | doub | 1.40Å | 1.40Å | Aromatic |
| CG3 | CD6 | sing | 1.40Å | 1.41Å | Aromatic |
| CG3 | C6 | sing | 1.48Å | 1.50Å | |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD3 | CE3 | sing | 1.38Å | 1.40Å | Aromatic |
| CD4 | CE4 | doub | 1.38Å | 1.39Å | Aromatic |
| CD5 | CE5 | sing | 1.38Å | 1.39Å | Aromatic |
| CD6 | CE6 | doub | 1.38Å | 1.40Å | Aromatic |
| CD6 | O6 | sing | 1.36Å | 1.38Å | |
| CE1 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE3 | CZ2 | doub | 1.38Å | 1.40Å | Aromatic |
| CE4 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE5 | CZ3 | doub | 1.40Å | 1.39Å | Aromatic |
| CE6 | CZ3 | sing | 1.40Å | 1.39Å | Aromatic |
| CZ3 | CM1 | sing | 1.43Å | 1.44Å | |
| CM1 | NM1 | trip | 1.14Å | 1.14Å | |
| CM2 | C9 | sing | 1.53Å | 1.54Å | |
| CM3 | C9 | sing | 1.53Å | 1.54Å | |
| C1 | N1 | sing | 1.33Å | 1.34Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C4 | sing | 1.50Å | 1.53Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| N2 | C4 | sing | 1.47Å | 1.49Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| N3 | C6 | sing | 1.38Å | 1.42Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| C5 | O5 | doub | 1.22Å | 1.22Å | |
| O6 | C9 | sing | 1.43Å | 1.45Å | |
| C7 | C8 | sing | 1.54Å | 1.57Å | |
| CZ1 | CL2 | sing | 1.74Å | 1.73Å | |
| CE4 | CL1 | sing | 1.74Å | 1.73Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| CD4 | HD4 | sing | 1.08Å | 1.08Å | |
| CD5 | HD5 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CE5 | HE5 | sing | 1.08Å | 1.08Å | |
| CE6 | HE6 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| CM3 | HM31 | sing | 1.09Å | 1.10Å | |
| CM3 | HM32 | sing | 1.09Å | 1.10Å | |
| CM3 | HM33 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N | C7 | 110.4° | 110.2° |
| N | C6 | CG3 | 120.3° | 123.0° |
| N | C6 | N3 | 114.2° | 114.1° |
| N | C7 | CG2 | 111.2° | 110.5° |
| N | C7 | C8 | 103.1° | 104.1° |
| N | C7 | H7 | 108.4° | 110.5° |
| CD1 | CG1 | CD2 | 119.0° | 120.1° |
| CD1 | CG1 | C8 | 121.8° | 119.9° |
| CG1 | CD1 | CE1 | 120.4° | 120.0° |
| CG1 | CD1 | HD1 | 119.8° | 120.0° |
| CD2 | CG1 | C8 | 118.9° | 120.0° |
| CG1 | CD2 | CE2 | 120.3° | 120.0° |
| CG1 | CD2 | HD2 | 119.8° | 120.0° |
| CG1 | C8 | N3 | 114.2° | 110.7° |
| CG1 | C8 | C7 | 115.0° | 110.6° |
| CG1 | C8 | H8 | 108.0° | 110.6° |
| CD3 | CG2 | CD4 | 118.2° | 120.0° |
| CD3 | CG2 | C7 | 120.5° | 120.0° |
| CG2 | CD3 | CE3 | 120.7° | 120.0° |
| CG2 | CD3 | HD3 | 119.7° | 120.0° |
| CD4 | CG2 | C7 | 121.3° | 120.0° |
| CG2 | CD4 | CE4 | 121.5° | 120.0° |
| CG2 | CD4 | HD4 | 119.2° | 120.0° |
| CG2 | C7 | C8 | 118.8° | 110.5° |
| CG2 | C7 | H7 | 107.7° | 110.5° |
| CD5 | CG3 | CD6 | 118.1° | 119.9° |
| CD5 | CG3 | C6 | 116.8° | 120.0° |
| CG3 | CD5 | CE5 | 121.4° | 120.1° |
| CG3 | CD5 | HD5 | 119.3° | 120.0° |
| CD6 | CG3 | C6 | 125.0° | 120.1° |
| CG3 | CD6 | CE6 | 119.9° | 119.9° |
| CG3 | CD6 | O6 | 120.4° | 120.1° |
| CG3 | C6 | N3 | 124.9° | 123.0° |
| CD1 | CE1 | CZ1 | 119.9° | 120.0° |
| CE1 | CD1 | HD1 | 119.8° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CD2 | CE2 | CZ1 | 120.2° | 120.0° |
| CE2 | CD2 | HD2 | 119.9° | 119.9° |
| CD2 | CE2 | HE2 | 119.9° | 120.0° |
| CD3 | CE3 | CZ2 | 120.1° | 120.0° |
| CE3 | CD3 | HD3 | 119.7° | 120.0° |
| CD3 | CE3 | HE3 | 119.9° | 120.0° |
| CD4 | CE4 | CZ2 | 119.9° | 120.0° |
| CD4 | CE4 | CL1 | 118.4° | 120.0° |
| CE4 | CD4 | HD4 | 119.3° | 120.0° |
| CD5 | CE5 | CZ3 | 120.0° | 120.1° |
| CE5 | CD5 | HD5 | 119.3° | 119.9° |
| CD5 | CE5 | HE5 | 120.0° | 120.0° |
| CE6 | CD6 | O6 | 119.6° | 120.1° |
| CD6 | CE6 | CZ3 | 120.8° | 119.9° |
| CD6 | CE6 | HE6 | 119.6° | 120.0° |
| CD6 | O6 | C9 | 125.1° | 117.0° |
| CE1 | CZ1 | CE2 | 120.1° | 120.0° |
| CE1 | CZ1 | CL2 | 120.5° | 120.0° |
| CZ1 | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | CZ1 | CL2 | 119.5° | 120.0° |
| CZ1 | CE2 | HE2 | 119.9° | 120.0° |
| CE3 | CZ2 | CE4 | 119.4° | 120.0° |
| CZ2 | CE3 | HE3 | 119.9° | 120.0° |
| CE3 | CZ2 | HZ2 | 120.3° | 120.0° |
| CZ2 | CE4 | CL1 | 121.7° | 120.0° |
| CE4 | CZ2 | HZ2 | 120.3° | 120.0° |
| CE5 | CZ3 | CE6 | 119.5° | 120.0° |
| CE5 | CZ3 | CM1 | 119.3° | 120.0° |
| CZ3 | CE5 | HE5 | 120.0° | 119.9° |
| CE6 | CZ3 | CM1 | 121.2° | 119.9° |
| CZ3 | CE6 | HE6 | 119.6° | 120.1° |
| CZ3 | CM1 | NM1 | 178.4° | 179.9° |
| CM2 | C9 | CM3 | 110.6° | 109.5° |
| CM2 | C9 | O6 | 109.9° | 109.5° |
| C9 | CM2 | HM21 | 109.5° | 109.5° |
| C9 | CM2 | HM22 | 109.5° | 109.5° |
| C9 | CM2 | HM23 | 109.4° | 109.5° |
| CM2 | C9 | H9 | 109.3° | 109.5° |
| CM3 | C9 | O6 | 107.3° | 109.5° |
| C9 | CM3 | HM31 | 109.5° | 109.5° |
| C9 | CM3 | HM32 | 109.5° | 109.5° |
| C9 | CM3 | HM33 | 109.5° | 109.4° |
| CM3 | C9 | H9 | 109.3° | 109.5° |
| N1 | C1 | O1 | 118.1° | 118.5° |
| N1 | C1 | C4 | 118.8° | 123.0° |
| C1 | N1 | C2 | 124.5° | 124.6° |
| C1 | N1 | HN1 | 117.8° | 117.7° |
| O1 | C1 | C4 | 123.1° | 118.5° |
| C1 | C4 | N2 | 117.5° | 108.9° |
| C1 | C4 | H41 | 107.4° | 109.6° |
| C1 | C4 | H42 | 107.5° | 109.5° |
| N1 | C2 | C3 | 112.4° | 110.8° |
| C2 | N1 | HN1 | 117.7° | 117.7° |
| N1 | C2 | H21 | 108.8° | 109.3° |
| N1 | C2 | H22 | 108.7° | 109.3° |
| C2 | C3 | N2 | 111.9° | 108.2° |
| C3 | C2 | H21 | 108.7° | 109.1° |
| C3 | C2 | H22 | 108.7° | 109.2° |
| C2 | C3 | H31 | 108.9° | 109.7° |
| C2 | C3 | H32 | 108.9° | 109.7° |
| C3 | N2 | C4 | 112.3° | 117.4° |
| C3 | N2 | C5 | 124.8° | 121.3° |
| N2 | C3 | H31 | 108.9° | 109.7° |
| N2 | C3 | H32 | 108.9° | 109.7° |
| C4 | N2 | C5 | 119.9° | 121.2° |
| N2 | C4 | H41 | 107.4° | 109.2° |
| N2 | C4 | H42 | 107.4° | 109.9° |
| N2 | C5 | N3 | 119.5° | 120.0° |
| N2 | C5 | O5 | 119.6° | 120.0° |
| C5 | N3 | C6 | 132.6° | 125.9° |
| C5 | N3 | C8 | 119.4° | 125.9° |
| N3 | C5 | O5 | 120.8° | 120.0° |
| C6 | N3 | C8 | 106.0° | 108.3° |
| N3 | C8 | C7 | 102.9° | 103.3° |
| N3 | C8 | H8 | 108.8° | 110.6° |
| O6 | C9 | H9 | 110.5° | 109.4° |
| C8 | C7 | H7 | 107.2° | 110.6° |
| C7 | C8 | H8 | 107.6° | 110.8° |
| HM21 | CM2 | HM22 | 109.5° | 109.4° |
| HM21 | CM2 | HM23 | 109.5° | 109.4° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
| HM31 | CM3 | HM32 | 109.4° | 109.5° |
| HM31 | CM3 | HM33 | 109.5° | 109.4° |
| HM32 | CM3 | HM33 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.2° |
| H31 | C3 | H32 | 109.5° | 109.7° |
| H41 | C4 | H42 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N | C7 | CG2 | 135.0° | 118.7° |
| N | C6 | CG3 | CD5 | 23.6° | 57.6° |
| N | C6 | CG3 | CD6 | 156.6° | 122.7° |
| N | C6 | CG3 | N3 | 171.4° | 180.0° |
| N | C6 | N3 | C5 | 147.6° | 180.0° |
| N | C6 | N3 | C8 | 15.8° | 0.0° |
| C6 | N | C7 | C8 | 6.7° | 0.0° |
| C6 | N | C7 | H7 | 106.8° | 118.8° |
| N | C7 | C8 | CG1 | 109.7° | 118.5° |
| N | C7 | CG2 | CD3 | 114.2° | 141.5° |
| N | C7 | CG2 | CD4 | 63.4° | 38.3° |
| N | C7 | CG2 | C8 | 119.3° | 114.7° |
| N | C7 | CG2 | H7 | 118.6° | 122.6° |
| C7 | N | C6 | CG3 | 167.0° | 180.0° |
| C7 | N | C6 | N3 | 5.3° | 0.0° |
| N | C7 | C8 | N3 | 15.1° | 0.0° |
| N | C7 | C8 | H7 | 114.3° | 118.7° |
| N | C7 | C8 | H8 | 129.9° | 118.5° |
| CD1 | CG1 | CD2 | C8 | 174.0° | 179.7° |
| CG1 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG1 | CD2 | CE2 | 4.4° | 0.0° |
| CG1 | CD1 | CE1 | CZ1 | 1.1° | 0.0° |
| CD1 | CG1 | C8 | N3 | 21.7° | 141.4° |
| CD1 | CG1 | C8 | C7 | 96.9° | 104.7° |
| CD1 | CG1 | CD2 | HD2 | 175.6° | 180.0° |
| CG1 | CD1 | CE1 | HE1 | 178.9° | 180.0° |
| CD1 | CG1 | C8 | H8 | 142.9° | 18.5° |
| CD2 | CG1 | CD1 | CE1 | 4.2° | 0.0° |
| CG1 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG1 | CD2 | CE2 | CZ1 | 1.6° | 0.0° |
| CD2 | CG1 | C8 | N3 | 164.4° | 38.8° |
| CD2 | CG1 | C8 | C7 | 76.9° | 75.1° |
| CD2 | CG1 | CD1 | HD1 | 175.8° | 180.0° |
| CG1 | CD2 | CE2 | HE2 | 178.4° | 180.0° |
| CD2 | CG1 | C8 | H8 | 43.2° | 161.8° |
| CG1 | C8 | C7 | CG2 | 13.8° | 0.2° |
| C8 | CG1 | CD1 | CE1 | 169.7° | 179.7° |
| C8 | CG1 | CD2 | CE2 | 169.6° | 179.7° |
| CG1 | C8 | N3 | C5 | 86.7° | 61.6° |
| CG1 | C8 | N3 | C6 | 107.2° | 118.4° |
| CG1 | C8 | N3 | C7 | 125.3° | 118.4° |
| CG1 | C8 | N3 | H8 | 120.8° | 123.0° |
| CG1 | C8 | C7 | H8 | 120.4° | 123.1° |
| C8 | CG1 | CD1 | HD1 | 10.3° | 0.2° |
| C8 | CG1 | CD2 | HD2 | 10.4° | 0.3° |
| CG1 | C8 | C7 | H7 | 136.0° | 122.9° |
| CD3 | CG2 | CD4 | C7 | 177.7° | 179.8° |
| CG2 | CD3 | CE3 | HD3 | 180.0° | 180.0° |
| CD3 | CG2 | CD4 | CE4 | 5.9° | 0.1° |
| CG2 | CD3 | CE3 | CZ2 | 1.4° | 0.1° |
| CD3 | CG2 | C7 | C8 | 126.4° | 103.8° |
| CD3 | CG2 | CD4 | HD4 | 174.1° | 180.0° |
| CG2 | CD3 | CE3 | HE3 | 178.6° | 180.0° |
| CD3 | CG2 | C7 | H7 | 4.4° | 18.9° |
| CD4 | CG2 | CD3 | CE3 | 2.5° | 0.1° |
| CG2 | CD4 | CE4 | HD4 | 180.0° | 179.9° |
| CG2 | CD4 | CE4 | CZ2 | 5.4° | 0.1° |
| CD4 | CG2 | C7 | C8 | 55.9° | 76.4° |
| CG2 | CD4 | CE4 | CL1 | 172.4° | 179.9° |
| CD4 | CG2 | CD3 | HD3 | 177.5° | 179.9° |
| CD4 | CG2 | C7 | H7 | 178.0° | 160.9° |
| C7 | CG2 | CD3 | CE3 | 179.8° | 179.7° |
| C7 | CG2 | CD4 | CE4 | 176.4° | 179.7° |
| CG2 | C7 | C8 | N3 | 138.6° | 118.7° |
| CG2 | C7 | C8 | H7 | 122.3° | 122.6° |
| C7 | CG2 | CD3 | HD3 | 0.2° | 0.3° |
| C7 | CG2 | CD4 | HD4 | 3.6° | 0.1° |
| CG2 | C7 | C8 | H8 | 106.7° | 122.8° |
| CD5 | CG3 | CD6 | C6 | 179.9° | 179.8° |
| CG3 | CD5 | CE5 | HD5 | 180.0° | 180.0° |
| CD5 | CG3 | CD6 | CE6 | 5.2° | 0.0° |
| CD5 | CG3 | CD6 | O6 | 171.6° | 180.0° |
| CG3 | CD5 | CE5 | CZ3 | 0.8° | 0.0° |
| CD5 | CG3 | C6 | N3 | 165.0° | 122.4° |
| CG3 | CD5 | CE5 | HE5 | 179.2° | 180.0° |
| CD6 | CG3 | CD5 | CE5 | 4.6° | 0.0° |
| CG3 | CD6 | CE6 | O6 | 176.8° | 180.0° |
| CG3 | CD6 | CE6 | CZ3 | 2.0° | 0.0° |
| CD6 | CG3 | C6 | N3 | 14.9° | 57.4° |
| CG3 | CD6 | O6 | C9 | 150.0° | 174.1° |
| CD6 | CG3 | CD5 | HD5 | 175.3° | 180.0° |
| CG3 | CD6 | CE6 | HE6 | 178.0° | 180.0° |
| C6 | CG3 | CD5 | CE5 | 175.2° | 179.8° |
| C6 | CG3 | CD6 | CE6 | 174.7° | 179.8° |
| C6 | CG3 | CD6 | O6 | 8.6° | 0.2° |
| CG3 | C6 | N3 | C5 | 40.4° | 0.0° |
| CG3 | C6 | N3 | C8 | 156.1° | 180.0° |
| C6 | CG3 | CD5 | HD5 | 4.8° | 0.3° |
| CD1 | CE1 | CZ1 | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ1 | CE2 | 1.8° | 0.0° |
| CD1 | CE1 | CZ1 | CL2 | 176.6° | 180.0° |
| CD2 | CE2 | CZ1 | CE1 | 1.6° | 0.0° |
| CD2 | CE2 | CZ1 | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ1 | CL2 | 176.8° | 180.0° |
| CD3 | CE3 | CZ2 | HE3 | 180.0° | 179.9° |
| CD3 | CE3 | CZ2 | CE4 | 2.1° | 0.1° |
| CD3 | CE3 | CZ2 | HZ2 | 177.9° | 180.0° |
| CD4 | CE4 | CZ2 | CE3 | 1.3° | 0.1° |
| CD4 | CE4 | CZ2 | CL1 | 177.7° | 180.0° |
| CD4 | CE4 | CZ2 | HZ2 | 178.7° | 180.0° |
| CD5 | CE5 | CZ3 | HE5 | 180.0° | 180.0° |
| CD5 | CE5 | CZ3 | CE6 | 2.5° | 0.0° |
| CD5 | CE5 | CZ3 | CM1 | 176.9° | 180.0° |
| CD6 | CE6 | CZ3 | CE5 | 1.9° | 0.0° |
| CD6 | CE6 | CZ3 | HE6 | 180.0° | 179.9° |
| CD6 | CE6 | CZ3 | CM1 | 177.5° | 180.0° |
| CE6 | CD6 | O6 | C9 | 26.8° | 5.9° |
| O6 | CD6 | CE6 | CZ3 | 174.8° | 180.0° |
| CD6 | O6 | C9 | CM2 | 65.6° | 155.2° |
| CD6 | O6 | C9 | CM3 | 174.1° | 84.8° |
| O6 | CD6 | CE6 | HE6 | 5.2° | 0.0° |
| CD6 | O6 | C9 | H9 | 55.0° | 35.2° |
| CE1 | CZ1 | CE2 | CL2 | 178.4° | 180.0° |
| CZ1 | CE1 | CD1 | HD1 | 178.9° | 180.0° |
| CE1 | CZ1 | CE2 | HE2 | 178.4° | 179.9° |
| CZ1 | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CE2 | CZ1 | CE1 | HE1 | 178.2° | 180.0° |
| CE3 | CZ2 | CE4 | HZ2 | 180.0° | 179.9° |
| CE3 | CZ2 | CE4 | CL1 | 176.4° | 179.9° |
| CZ2 | CE3 | CD3 | HD3 | 178.6° | 179.9° |
| CZ2 | CE4 | CD4 | HD4 | 174.6° | 180.0° |
| CE4 | CZ2 | CE3 | HE3 | 177.9° | 180.0° |
| CE5 | CZ3 | CE6 | CM1 | 179.5° | 180.0° |
| CE5 | CZ3 | CM1 | NM1 | 26.5° | 73.4° |
| CZ3 | CE5 | CD5 | HD5 | 179.2° | 180.0° |
| CE5 | CZ3 | CE6 | HE6 | 178.1° | 180.0° |
| CE6 | CZ3 | CM1 | NM1 | 153.0° | 106.6° |
| CE6 | CZ3 | CE5 | HE5 | 177.5° | 180.0° |
| CM1 | CZ3 | CE5 | HE5 | 3.1° | 0.0° |
| CM1 | CZ3 | CE6 | HE6 | 2.5° | 0.0° |
| CM2 | C9 | CM3 | O6 | 119.8° | 120.0° |
| CM2 | C9 | CM3 | H9 | 120.4° | 120.0° |
| CM2 | C9 | O6 | H9 | 120.6° | 120.0° |
| C9 | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| C9 | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| C9 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| CM2 | C9 | CM3 | HM31 | 180.0° | 60.0° |
| CM2 | C9 | CM3 | HM32 | 60.0° | 180.0° |
| CM2 | C9 | CM3 | HM33 | 60.0° | 60.0° |
| CM3 | C9 | O6 | H9 | 119.1° | 120.0° |
| CM3 | C9 | CM2 | HM21 | 180.0° | 60.0° |
| CM3 | C9 | CM2 | HM22 | 60.0° | 180.0° |
| CM3 | C9 | CM2 | HM23 | 60.0° | 60.0° |
| C9 | CM3 | HM31 | HM32 | 120.0° | 120.0° |
| C9 | CM3 | HM31 | HM33 | 120.0° | 119.9° |
| C9 | CM3 | HM32 | HM33 | 120.0° | 120.0° |
| N1 | C1 | O1 | C4 | 179.8° | 179.8° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 17.7° | 21.9° |
| N1 | C1 | C4 | N2 | 2.9° | 12.3° |
| C1 | N1 | C2 | H21 | 138.2° | 98.3° |
| C1 | N1 | C2 | H22 | 102.7° | 142.3° |
| N1 | C1 | C4 | H41 | 124.0° | 107.1° |
| N1 | C1 | C4 | H42 | 118.2° | 132.6° |
| O1 | C1 | N1 | C2 | 175.8° | 175.6° |
| O1 | C1 | C4 | N2 | 176.9° | 167.5° |
| O1 | C1 | N1 | HN1 | 4.2° | 4.2° |
| O1 | C1 | C4 | H41 | 55.7° | 73.1° |
| O1 | C1 | C4 | H42 | 62.0° | 47.2° |
| C4 | C1 | N1 | C2 | 4.4° | 4.2° |
| C1 | C4 | N2 | C3 | 32.7° | 42.4° |
| C1 | C4 | N2 | H41 | 121.1° | 119.7° |
| C1 | C4 | N2 | H42 | 121.2° | 120.0° |
| C1 | C4 | N2 | C5 | 165.9° | 137.4° |
| C4 | C1 | N1 | HN1 | 175.6° | 176.0° |
| C1 | C4 | H41 | H42 | 116.4° | 120.3° |
| N1 | C2 | C3 | H21 | 120.5° | 120.3° |
| N1 | C2 | C3 | H22 | 120.4° | 120.4° |
| N1 | C2 | C3 | N2 | 47.3° | 46.7° |
| N1 | C2 | H21 | H22 | 118.7° | 119.5° |
| N1 | C2 | C3 | H31 | 73.1° | 166.4° |
| N1 | C2 | C3 | H32 | 167.6° | 72.9° |
| C2 | C3 | N2 | H31 | 120.4° | 119.7° |
| C2 | C3 | N2 | H32 | 120.3° | 119.6° |
| C2 | C3 | N2 | C4 | 54.5° | 61.3° |
| C2 | C3 | N2 | C5 | 145.2° | 118.5° |
| C3 | C2 | N1 | HN1 | 162.3° | 158.2° |
| C3 | C2 | H21 | H22 | 118.7° | 119.3° |
| C2 | C3 | H31 | H32 | 118.9° | 120.6° |
| C3 | N2 | C4 | C5 | 161.4° | 179.8° |
| C3 | N2 | C5 | N3 | 37.5° | 179.0° |
| C3 | N2 | C5 | O5 | 141.2° | 1.0° |
| N2 | C3 | C2 | H21 | 167.7° | 73.6° |
| N2 | C3 | C2 | H22 | 73.2° | 167.1° |
| N2 | C3 | H31 | H32 | 118.9° | 120.6° |
| C3 | N2 | C4 | H41 | 153.9° | 77.3° |
| C3 | N2 | C4 | H42 | 88.4° | 162.4° |
| C4 | N2 | C5 | N3 | 163.7° | 0.8° |
| C4 | N2 | C5 | O5 | 17.7° | 179.2° |
| C4 | N2 | C3 | H31 | 65.8° | 179.0° |
| C4 | N2 | C3 | H32 | 174.9° | 58.3° |
| N2 | C4 | H41 | H42 | 116.4° | 120.5° |
| N2 | C5 | N3 | O5 | 178.7° | 180.0° |
| N2 | C5 | N3 | C6 | 17.3° | 178.6° |
| N2 | C5 | N3 | C8 | 144.4° | 1.4° |
| C5 | N2 | C3 | H31 | 94.5° | 1.3° |
| C5 | N2 | C3 | H32 | 24.8° | 121.9° |
| C5 | N2 | C4 | H41 | 44.7° | 102.9° |
| C5 | N2 | C4 | H42 | 73.0° | 17.4° |
| C5 | N3 | C6 | C8 | 163.5° | 180.0° |
| C5 | N3 | C8 | C7 | 147.9° | 180.0° |
| C5 | N3 | C8 | H8 | 34.1° | 61.4° |
| C6 | N3 | C5 | O5 | 164.0° | 1.4° |
| C6 | N3 | C8 | C7 | 18.2° | 0.0° |
| C6 | N3 | C8 | H8 | 132.0° | 118.6° |
| C8 | N3 | C5 | O5 | 34.3° | 178.5° |
| N3 | C8 | C7 | H8 | 114.8° | 118.5° |
| N3 | C8 | C7 | H7 | 99.1° | 118.7° |
| O6 | C9 | CM2 | HM21 | 61.7° | 180.0° |
| O6 | C9 | CM2 | HM22 | 178.2° | 60.0° |
| O6 | C9 | CM2 | HM23 | 58.3° | 60.0° |
| O6 | C9 | CM3 | HM31 | 60.1° | 60.1° |
| O6 | C9 | CM3 | HM32 | 59.8° | 60.0° |
| O6 | C9 | CM3 | HM33 | 179.8° | 180.0° |
| CL2 | CZ1 | CE1 | HE1 | 3.4° | 0.0° |
| CL2 | CZ1 | CE2 | HE2 | 3.2° | 0.1° |
| CL1 | CE4 | CD4 | HD4 | 7.6° | 0.0° |
| CL1 | CE4 | CZ2 | HZ2 | 3.6° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 1.1° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.0° |
| HD3 | CD3 | CE3 | HE3 | 1.4° | 0.0° |
| HD5 | CD5 | CE5 | HE5 | 0.8° | 0.1° |
| HE3 | CE3 | CZ2 | HZ2 | 2.0° | 0.1° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| HM21 | CM2 | C9 | H9 | 59.6° | 60.0° |
| HM22 | CM2 | C9 | H9 | 60.4° | 60.0° |
| HM23 | CM2 | C9 | H9 | 179.6° | 180.0° |
| HM31 | CM3 | HM32 | HM33 | 120.0° | 120.0° |
| HM31 | CM3 | C9 | H9 | 59.7° | 180.0° |
| HM32 | CM3 | C9 | H9 | 179.6° | 60.0° |
| HM33 | CM3 | C9 | H9 | 60.4° | 60.1° |
| HN1 | N1 | C2 | H21 | 41.9° | 81.6° |
| HN1 | N1 | C2 | H22 | 77.3° | 37.8° |
| H21 | C2 | C3 | H31 | 47.4° | 46.1° |
| H21 | C2 | C3 | H32 | 71.9° | 166.7° |
| H22 | C2 | C3 | H31 | 166.5° | 73.2° |
| H22 | C2 | C3 | H32 | 47.2° | 47.4° |
| H7 | C7 | C8 | H8 | 15.6° | 0.2° |
