UHB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.48Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.51Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.47Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.50Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| C04 | N11 | sing | 1.40Å | 1.44Å | |
| C05 | C06 | doub | 1.40Å | 1.44Å | Aromatic |
| C05 | C08 | sing | 1.51Å | 1.47Å | |
| C06 | C07 | sing | 1.48Å | 1.46Å | |
| C07 | N09 | sing | 1.34Å | 1.44Å | |
| C07 | O10 | doub | 1.22Å | 1.20Å | |
| C08 | N09 | sing | 1.47Å | 1.44Å | |
| N11 | C12 | sing | 1.35Å | 1.46Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | sing | 1.51Å | 1.57Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| N15 | C20 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N18 | sing | 1.47Å | 1.45Å | |
| N18 | C19 | sing | 1.47Å | 1.42Å | |
| N18 | C21 | sing | 1.35Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | O27 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C22 | O26 | sing | 1.44Å | 1.43Å | |
| C23 | C24 | sing | 1.54Å | 1.45Å | |
| C23 | O28 | sing | 1.43Å | 1.38Å | |
| C24 | C25 | sing | 1.54Å | 1.47Å | |
| C24 | O29 | sing | 1.43Å | 1.46Å | |
| C25 | O26 | sing | 1.44Å | 1.44Å | |
| C25 | N30 | sing | 1.47Å | 1.41Å | |
| N30 | C32 | sing | 1.37Å | 1.39Å | Aromatic |
| N30 | C33 | sing | 1.36Å | 1.36Å | Aromatic |
| C31 | C32 | doub | 1.41Å | 1.35Å | Aromatic |
| C31 | N34 | sing | 1.35Å | 1.39Å | Aromatic |
| C31 | C38 | sing | 1.40Å | 1.54Å | Aromatic |
| C32 | N37 | sing | 1.33Å | 1.47Å | Aromatic |
| C33 | N34 | doub | 1.30Å | 1.37Å | Aromatic |
| N35 | C36 | sing | 1.32Å | 1.42Å | Aromatic |
| N35 | C38 | doub | 1.33Å | 1.41Å | Aromatic |
| C36 | N37 | doub | 1.32Å | 1.47Å | Aromatic |
| C38 | N39 | sing | 1.38Å | 1.40Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N09 | HN09 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N39 | HN39 | sing | 0.97Å | 1.00Å | |
| N39 | HN3A | sing | 0.97Å | 1.00Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 120.5° | 120.0° |
| C01 | C02 | C03 | 119.6° | 120.4° |
| C02 | C01 | H01 | 119.7° | 120.0° |
| C01 | C02 | H02 | 120.2° | 119.8° |
| C01 | C06 | C05 | 120.7° | 119.4° |
| C01 | C06 | C07 | 131.2° | 132.4° |
| C06 | C01 | H01 | 119.7° | 120.0° |
| C02 | C03 | C04 | 119.8° | 120.1° |
| C03 | C02 | H02 | 120.2° | 119.8° |
| C02 | C03 | H03 | 120.1° | 119.9° |
| C03 | C04 | C05 | 120.0° | 119.8° |
| C03 | C04 | N11 | 117.2° | 120.1° |
| C04 | C03 | H03 | 120.1° | 120.0° |
| C05 | C04 | N11 | 122.7° | 120.1° |
| C04 | C05 | C06 | 119.3° | 120.3° |
| C04 | C05 | C08 | 133.0° | 133.3° |
| C04 | N11 | C12 | 127.0° | 120.0° |
| C04 | N11 | HN11 | 116.5° | 120.0° |
| C06 | C05 | C08 | 107.7° | 106.5° |
| C05 | C06 | C07 | 108.1° | 108.2° |
| C05 | C08 | N09 | 107.6° | 106.3° |
| C05 | C08 | H081 | 109.9° | 110.0° |
| C05 | C08 | H082 | 109.9° | 110.1° |
| C06 | C07 | N09 | 108.0° | 110.4° |
| C06 | C07 | O10 | 126.2° | 124.8° |
| N09 | C07 | O10 | 125.7° | 124.8° |
| C07 | N09 | C08 | 108.6° | 108.7° |
| C07 | N09 | HN09 | 125.7° | 125.7° |
| N09 | C08 | H081 | 109.9° | 110.1° |
| N09 | C08 | H082 | 109.9° | 110.1° |
| C08 | N09 | HN09 | 125.7° | 125.6° |
| N11 | C12 | O13 | 122.0° | 120.0° |
| N11 | C12 | C14 | 114.7° | 120.0° |
| C12 | N11 | HN11 | 116.5° | 120.0° |
| O13 | C12 | C14 | 123.3° | 120.1° |
| C12 | C14 | N15 | 110.7° | 109.5° |
| C12 | C14 | H14 | 109.1° | 109.5° |
| C12 | C14 | H14A | 109.1° | 109.5° |
| C14 | N15 | C16 | 106.5° | 111.0° |
| C14 | N15 | C20 | 128.5° | 111.1° |
| N15 | C14 | H14 | 109.2° | 109.4° |
| N15 | C14 | H14A | 109.1° | 109.5° |
| C16 | N15 | C20 | 116.1° | 111.3° |
| N15 | C16 | C17 | 116.6° | 109.3° |
| N15 | C16 | H16 | 107.7° | 109.5° |
| N15 | C16 | H16A | 107.7° | 109.5° |
| N15 | C20 | C19 | 116.6° | 109.4° |
| N15 | C20 | H20 | 107.7° | 109.5° |
| N15 | C20 | H20A | 107.7° | 109.5° |
| C16 | C17 | N18 | 114.0° | 108.5° |
| C17 | C16 | H16 | 107.6° | 109.5° |
| C17 | C16 | H16A | 107.6° | 109.5° |
| C16 | C17 | H17 | 108.3° | 109.5° |
| C16 | C17 | H17A | 108.3° | 109.6° |
| C17 | N18 | C19 | 110.1° | 118.2° |
| C17 | N18 | C21 | 125.1° | 120.8° |
| N18 | C17 | H17 | 108.3° | 109.7° |
| N18 | C17 | H17A | 108.3° | 109.6° |
| C19 | N18 | C21 | 124.7° | 120.9° |
| N18 | C19 | C20 | 111.4° | 108.6° |
| N18 | C19 | H19 | 109.0° | 109.6° |
| N18 | C19 | H19A | 109.0° | 109.6° |
| N18 | C21 | C22 | 121.6° | 120.0° |
| N18 | C21 | O27 | 120.9° | 120.0° |
| C20 | C19 | H19 | 109.0° | 109.6° |
| C20 | C19 | H19A | 109.0° | 109.6° |
| C19 | C20 | H20 | 107.6° | 109.5° |
| C19 | C20 | H20A | 107.6° | 109.5° |
| C22 | C21 | O27 | 117.5° | 120.0° |
| C21 | C22 | C23 | 112.2° | 110.4° |
| C21 | C22 | O26 | 109.2° | 110.4° |
| C21 | C22 | H22 | 109.0° | 110.4° |
| C23 | C22 | O26 | 107.8° | 104.8° |
| C22 | C23 | C24 | 104.1° | 104.1° |
| C22 | C23 | O28 | 110.4° | 110.5° |
| C23 | C22 | H22 | 108.8° | 110.3° |
| C22 | C23 | H23 | 108.6° | 110.5° |
| C22 | O26 | C25 | 102.6° | 105.3° |
| O26 | C22 | H22 | 109.9° | 110.4° |
| C24 | C23 | O28 | 113.4° | 110.6° |
| C23 | C24 | C25 | 101.9° | 104.1° |
| C23 | C24 | O29 | 112.5° | 110.5° |
| C24 | C23 | H23 | 109.5° | 110.5° |
| C23 | C24 | H24 | 109.1° | 110.5° |
| O28 | C23 | H23 | 110.5° | 110.5° |
| C23 | O28 | HO28 | 109.5° | 114.0° |
| C25 | C24 | O29 | 115.2° | 110.5° |
| C24 | C25 | O26 | 105.6° | 104.8° |
| C24 | C25 | N30 | 115.7° | 110.3° |
| C25 | C24 | H24 | 108.9° | 110.5° |
| C24 | C25 | H25 | 107.9° | 110.3° |
| O29 | C24 | H24 | 109.0° | 110.6° |
| C24 | O29 | HO29 | 109.5° | 114.0° |
| O26 | C25 | N30 | 110.4° | 110.4° |
| O26 | C25 | H25 | 108.3° | 110.4° |
| C25 | N30 | C32 | 123.3° | 126.3° |
| C25 | N30 | C33 | 128.6° | 126.3° |
| N30 | C25 | H25 | 108.7° | 110.4° |
| C32 | N30 | C33 | 108.1° | 107.4° |
| N30 | C32 | C31 | 108.5° | 106.0° |
| N30 | C32 | N37 | 131.6° | 134.9° |
| N30 | C33 | N34 | 107.8° | 110.0° |
| N30 | C33 | H33 | 126.1° | 125.0° |
| C32 | C31 | N34 | 107.2° | 107.2° |
| C32 | C31 | C38 | 119.1° | 118.1° |
| C31 | C32 | N37 | 120.0° | 119.1° |
| N34 | C31 | C38 | 133.7° | 134.7° |
| C31 | N34 | C33 | 108.4° | 109.4° |
| C31 | C38 | N35 | 120.6° | 118.5° |
| C31 | C38 | N39 | 120.4° | 120.8° |
| C32 | N37 | C36 | 121.0° | 120.6° |
| N34 | C33 | H33 | 126.1° | 125.0° |
| C36 | N35 | C38 | 119.9° | 121.2° |
| N35 | C36 | N37 | 119.3° | 122.5° |
| N35 | C36 | H36 | 120.4° | 118.8° |
| N35 | C38 | N39 | 118.9° | 120.7° |
| N37 | C36 | H36 | 120.3° | 118.8° |
| C38 | N39 | HN39 | 109.5° | 120.0° |
| C38 | N39 | HN3A | 109.5° | 120.1° |
| H081 | C08 | H082 | 109.5° | 110.2° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.6° |
| H17 | C17 | H17A | 109.5° | 109.8° |
| H19 | C19 | H19A | 109.5° | 109.7° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| HN39 | N39 | HN3A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H01 | 180.0° | 179.7° |
| C01 | C02 | C03 | H02 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 1.6° | 0.0° |
| C02 | C01 | C06 | C05 | 1.1° | 0.1° |
| C02 | C01 | C06 | C07 | 178.2° | 180.0° |
| C01 | C02 | C03 | H03 | 178.4° | 179.9° |
| C06 | C01 | C02 | C03 | 0.5° | 0.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.1° |
| C01 | C06 | C05 | C07 | 179.5° | 179.9° |
| C01 | C06 | C05 | C08 | 179.4° | 180.0° |
| C01 | C06 | C07 | N09 | 179.8° | 180.0° |
| C01 | C06 | C07 | O10 | 0.0° | 0.1° |
| C06 | C01 | C02 | H02 | 179.5° | 180.0° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 3.2° | 0.0° |
| C02 | C03 | C04 | N11 | 179.5° | 180.0° |
| C03 | C02 | C01 | H01 | 179.5° | 179.8° |
| C03 | C04 | C05 | N11 | 177.1° | 180.0° |
| C03 | C04 | C05 | C06 | 2.6° | 0.0° |
| C03 | C04 | C05 | C08 | 178.7° | 180.0° |
| C03 | C04 | N11 | C12 | 141.4° | 19.6° |
| C04 | C03 | C02 | H02 | 178.4° | 179.9° |
| C03 | C04 | N11 | HN11 | 38.6° | 160.4° |
| C04 | C05 | C06 | C08 | 178.9° | 179.9° |
| C04 | C05 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C08 | N09 | 179.8° | 180.0° |
| C05 | C04 | N11 | C12 | 41.5° | 160.4° |
| C05 | C04 | C03 | H03 | 176.8° | 179.9° |
| C04 | C05 | C08 | H081 | 60.5° | 60.8° |
| C04 | C05 | C08 | H082 | 60.1° | 60.8° |
| C05 | C04 | N11 | HN11 | 138.5° | 19.6° |
| N11 | C04 | C05 | C06 | 179.7° | 180.0° |
| N11 | C04 | C05 | C08 | 1.7° | 0.1° |
| C04 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C04 | N11 | C12 | O13 | 0.5° | 5.5° |
| C04 | N11 | C12 | C14 | 179.3° | 174.4° |
| N11 | C04 | C03 | H03 | 0.4° | 0.0° |
| C05 | C06 | C07 | N09 | 0.8° | 0.1° |
| C05 | C06 | C07 | O10 | 179.4° | 180.0° |
| C06 | C05 | C08 | N09 | 1.0° | 0.1° |
| C05 | C06 | C01 | H01 | 178.9° | 179.8° |
| C06 | C05 | C08 | H081 | 120.7° | 119.2° |
| C06 | C05 | C08 | H082 | 118.7° | 119.2° |
| C08 | C05 | C06 | C07 | 1.1° | 0.1° |
| C05 | C08 | N09 | C07 | 0.6° | 0.0° |
| C05 | C08 | N09 | H081 | 119.7° | 119.1° |
| C05 | C08 | N09 | H082 | 119.7° | 119.2° |
| C05 | C08 | H081 | H082 | 120.9° | 121.6° |
| C05 | C08 | N09 | HN09 | 179.4° | 180.0° |
| C06 | C07 | N09 | O10 | 179.8° | 179.9° |
| C06 | C07 | N09 | C08 | 0.1° | 0.0° |
| C07 | C06 | C01 | H01 | 1.8° | 0.3° |
| C06 | C07 | N09 | HN09 | 179.9° | 180.0° |
| C07 | N09 | C08 | HN09 | 180.0° | 180.0° |
| C07 | N09 | C08 | H081 | 120.3° | 119.1° |
| C07 | N09 | C08 | H082 | 119.1° | 119.2° |
| O10 | C07 | N09 | C08 | 179.9° | 179.9° |
| O10 | C07 | N09 | HN09 | 0.1° | 0.1° |
| N09 | C08 | H081 | H082 | 120.9° | 121.6° |
| N11 | C12 | O13 | C14 | 179.8° | 180.0° |
| N11 | C12 | C14 | N15 | 176.1° | 180.0° |
| N11 | C12 | C14 | H14 | 63.7° | 60.0° |
| N11 | C12 | C14 | H14A | 55.9° | 60.0° |
| O13 | C12 | C14 | N15 | 4.1° | 0.0° |
| O13 | C12 | C14 | H14 | 116.0° | 120.0° |
| O13 | C12 | C14 | H14A | 124.3° | 120.0° |
| O13 | C12 | N11 | HN11 | 179.5° | 174.5° |
| C12 | C14 | N15 | H14 | 120.2° | 120.0° |
| C12 | C14 | N15 | H14A | 120.2° | 120.0° |
| C12 | C14 | N15 | C16 | 82.4° | 170.0° |
| C12 | C14 | N15 | C20 | 63.1° | 65.7° |
| C12 | C14 | H14 | H14A | 119.4° | 120.0° |
| C14 | C12 | N11 | HN11 | 0.7° | 5.6° |
| C14 | N15 | C16 | C20 | 150.4° | 124.2° |
| C14 | N15 | C16 | C17 | 174.4° | 172.7° |
| C14 | N15 | C20 | C19 | 173.6° | 172.8° |
| N15 | C14 | H14 | H14A | 119.4° | 120.0° |
| C14 | N15 | C16 | H16 | 53.4° | 67.3° |
| C14 | N15 | C16 | H16A | 64.6° | 52.8° |
| C14 | N15 | C20 | H20 | 65.4° | 52.7° |
| C14 | N15 | C20 | H20A | 52.5° | 67.3° |
| N15 | C16 | C17 | H16 | 121.0° | 119.9° |
| N15 | C16 | C17 | H16A | 121.0° | 120.0° |
| N15 | C16 | C17 | N18 | 36.0° | 53.8° |
| C16 | N15 | C20 | C19 | 30.8° | 63.0° |
| C16 | N15 | C14 | H14 | 37.7° | 70.0° |
| C16 | N15 | C14 | H14A | 157.4° | 50.0° |
| N15 | C16 | H16 | H16A | 116.8° | 120.1° |
| N15 | C16 | C17 | H17 | 156.7° | 173.5° |
| N15 | C16 | C17 | H17A | 84.6° | 65.9° |
| C16 | N15 | C20 | H20 | 151.8° | 176.9° |
| C16 | N15 | C20 | H20A | 90.3° | 56.9° |
| C20 | N15 | C16 | C17 | 24.0° | 63.1° |
| N15 | C20 | C19 | N18 | 50.1° | 53.8° |
| N15 | C20 | C19 | H20 | 121.1° | 120.0° |
| N15 | C20 | C19 | H20A | 121.0° | 119.9° |
| C20 | N15 | C14 | H14 | 176.8° | 54.3° |
| C20 | N15 | C14 | H14A | 57.1° | 174.3° |
| C20 | N15 | C16 | H16 | 97.1° | 56.9° |
| C20 | N15 | C16 | H16A | 145.0° | 177.0° |
| N15 | C20 | C19 | H19 | 170.4° | 173.5° |
| N15 | C20 | C19 | H19A | 70.1° | 65.9° |
| N15 | C20 | H20 | H20A | 116.8° | 120.0° |
| C16 | C17 | N18 | H17 | 120.7° | 119.6° |
| C16 | C17 | N18 | H17A | 120.7° | 119.7° |
| C16 | C17 | N18 | C19 | 54.7° | 51.2° |
| C16 | C17 | N18 | C21 | 123.5° | 128.7° |
| C17 | C16 | H16 | H16A | 116.7° | 120.1° |
| C16 | C17 | H17 | H17A | 117.9° | 120.5° |
| C17 | N18 | C19 | C21 | 178.3° | 179.9° |
| C17 | N18 | C19 | C20 | 60.9° | 51.2° |
| C17 | N18 | C21 | C22 | 1.7° | 174.9° |
| C17 | N18 | C21 | O27 | 178.5° | 5.2° |
| N18 | C17 | C16 | H16 | 85.0° | 66.1° |
| N18 | C17 | C16 | H16A | 157.1° | 173.8° |
| N18 | C17 | H17 | H17A | 118.0° | 120.5° |
| C17 | N18 | C19 | H19 | 178.8° | 170.9° |
| C17 | N18 | C19 | H19A | 59.4° | 68.6° |
| N18 | C19 | C20 | H19 | 120.3° | 119.7° |
| N18 | C19 | C20 | H19A | 120.3° | 119.8° |
| C19 | N18 | C21 | C22 | 179.8° | 5.0° |
| C19 | N18 | C21 | O27 | 0.5° | 174.9° |
| C19 | N18 | C17 | H17 | 175.4° | 170.8° |
| C19 | N18 | C17 | H17A | 65.9° | 68.6° |
| N18 | C19 | H19 | H19A | 119.1° | 120.4° |
| N18 | C19 | C20 | H20 | 171.2° | 173.9° |
| N18 | C19 | C20 | H20A | 70.9° | 66.1° |
| C21 | N18 | C19 | C20 | 117.4° | 128.7° |
| N18 | C21 | C22 | O27 | 179.8° | 180.0° |
| N18 | C21 | C22 | C23 | 86.2° | 77.2° |
| N18 | C21 | C22 | O26 | 154.4° | 167.5° |
| C21 | N18 | C17 | H17 | 2.9° | 9.1° |
| C21 | N18 | C17 | H17A | 115.8° | 111.5° |
| C21 | N18 | C19 | H19 | 2.9° | 9.0° |
| C21 | N18 | C19 | H19A | 122.3° | 111.5° |
| N18 | C21 | C22 | H22 | 34.3° | 45.0° |
| C20 | C19 | H19 | H19A | 119.2° | 120.5° |
| C19 | C20 | H20 | H20A | 116.7° | 120.0° |
| C21 | C22 | C23 | O26 | 120.2° | 118.9° |
| C21 | C22 | C23 | H22 | 120.6° | 122.3° |
| C21 | C22 | O26 | H22 | 119.5° | 122.4° |
| C21 | C22 | C23 | C24 | 113.4° | 142.8° |
| C21 | C22 | C23 | O28 | 124.5° | 98.5° |
| C21 | C22 | O26 | C25 | 141.2° | 159.3° |
| C21 | C22 | C23 | H23 | 3.3° | 24.1° |
| O27 | C21 | C22 | C23 | 94.1° | 102.8° |
| O27 | C21 | C22 | O26 | 25.4° | 12.6° |
| O27 | C21 | C22 | H22 | 145.4° | 135.0° |
| C23 | C22 | O26 | H22 | 118.4° | 118.8° |
| C22 | C23 | C24 | O28 | 120.0° | 118.7° |
| C22 | C23 | C24 | H23 | 116.0° | 118.6° |
| C22 | C23 | O28 | H23 | 120.1° | 122.6° |
| C22 | C23 | C24 | C25 | 29.3° | 0.0° |
| C22 | C23 | C24 | O29 | 153.2° | 118.7° |
| C23 | C22 | O26 | C25 | 19.1° | 40.5° |
| C22 | C23 | C24 | H24 | 85.7° | 118.6° |
| C22 | C23 | O28 | HO28 | 180.0° | 180.0° |
| O26 | C22 | C23 | C24 | 6.9° | 23.9° |
| O26 | C22 | C23 | O28 | 115.2° | 142.6° |
| C22 | O26 | C25 | C24 | 38.4° | 40.5° |
| C22 | O26 | C25 | N30 | 164.2° | 159.3° |
| O26 | C22 | C23 | H23 | 123.5° | 94.7° |
| C22 | O26 | C25 | H25 | 76.9° | 78.3° |
| C24 | C23 | O28 | H23 | 123.4° | 122.7° |
| C23 | C24 | C25 | O29 | 122.1° | 118.6° |
| C23 | C24 | C25 | H24 | 115.2° | 118.6° |
| C23 | C24 | O29 | H24 | 121.2° | 122.6° |
| C23 | C24 | C25 | O26 | 43.1° | 24.0° |
| C23 | C24 | C25 | N30 | 165.5° | 142.8° |
| C24 | C23 | C22 | H22 | 126.0° | 94.9° |
| C23 | C24 | C25 | H25 | 72.5° | 94.9° |
| C24 | C23 | O28 | HO28 | 63.6° | 65.3° |
| C23 | C24 | O29 | HO29 | 180.0° | 61.4° |
| O28 | C23 | C24 | C25 | 90.7° | 118.6° |
| O28 | C23 | C24 | O29 | 33.1° | 0.0° |
| O28 | C23 | C22 | H22 | 3.9° | 23.8° |
| O28 | C23 | C24 | H24 | 154.2° | 122.7° |
| C25 | C24 | O29 | H24 | 122.6° | 122.7° |
| C24 | C25 | O26 | N30 | 125.8° | 118.8° |
| C24 | C25 | O26 | H25 | 115.4° | 118.8° |
| C24 | C25 | N30 | H25 | 121.5° | 122.2° |
| C24 | C25 | N30 | C32 | 139.3° | 85.0° |
| C24 | C25 | N30 | C33 | 40.4° | 95.4° |
| C25 | C24 | C23 | H23 | 145.3° | 118.7° |
| C25 | C24 | O29 | HO29 | 63.8° | 176.0° |
| O29 | C24 | C25 | O26 | 165.2° | 142.6° |
| O29 | C24 | C25 | N30 | 72.4° | 98.5° |
| O29 | C24 | C23 | H23 | 90.8° | 122.7° |
| O29 | C24 | C25 | H25 | 49.6° | 23.8° |
| O26 | C25 | N30 | H25 | 118.7° | 122.4° |
| O26 | C25 | N30 | C32 | 100.9° | 159.5° |
| O26 | C25 | N30 | C33 | 79.4° | 20.0° |
| C25 | O26 | C22 | H22 | 99.3° | 78.3° |
| O26 | C25 | C24 | H24 | 72.1° | 94.6° |
| C25 | N30 | C32 | C33 | 179.8° | 179.7° |
| C25 | N30 | C32 | C31 | 179.2° | 179.9° |
| C25 | N30 | C32 | N37 | 1.0° | 0.1° |
| C25 | N30 | C33 | N34 | 179.0° | 179.9° |
| N30 | C25 | C24 | H24 | 50.3° | 24.2° |
| C25 | N30 | C33 | H33 | 1.0° | 0.1° |
| N30 | C32 | C31 | N37 | 179.9° | 180.0° |
| N30 | C32 | C31 | N34 | 0.2° | 0.2° |
| N30 | C32 | C31 | C38 | 179.8° | 180.0° |
| C32 | N30 | C33 | N34 | 0.8° | 0.3° |
| N30 | C32 | N37 | C36 | 179.7° | 180.0° |
| C32 | N30 | C25 | H25 | 17.8° | 37.2° |
| C32 | N30 | C33 | H33 | 179.2° | 179.7° |
| C33 | N30 | C32 | C31 | 0.6° | 0.3° |
| N30 | C33 | N34 | C31 | 0.7° | 0.2° |
| C33 | N30 | C32 | N37 | 179.2° | 179.8° |
| N30 | C33 | N34 | H33 | 180.0° | 180.0° |
| C33 | N30 | C25 | H25 | 162.0° | 142.4° |
| C32 | C31 | N34 | C38 | 180.0° | 179.8° |
| C32 | C31 | N34 | C33 | 0.3° | 0.0° |
| C32 | C31 | C38 | N35 | 0.4° | 0.1° |
| C31 | C32 | N37 | C36 | 0.4° | 0.0° |
| C32 | C31 | C38 | N39 | 179.5° | 180.0° |
| N34 | C31 | C32 | N37 | 179.7° | 179.9° |
| N34 | C31 | C38 | N35 | 179.6° | 179.8° |
| N34 | C31 | C38 | N39 | 0.5° | 0.2° |
| C31 | N34 | C33 | H33 | 179.3° | 179.8° |
| C38 | C31 | C32 | N37 | 0.3° | 0.0° |
| C38 | C31 | N34 | C33 | 179.7° | 179.8° |
| C31 | C38 | N35 | C36 | 0.6° | 0.1° |
| C31 | C38 | N35 | N39 | 180.0° | 179.9° |
| C31 | C38 | N39 | HN39 | 180.0° | 0.0° |
| C31 | C38 | N39 | HN3A | 60.0° | 180.0° |
| C32 | N37 | C36 | N35 | 0.6° | 0.1° |
| C32 | N37 | C36 | H36 | 179.4° | 180.0° |
| N35 | C36 | N37 | H36 | 180.0° | 179.9° |
| C36 | N35 | C38 | N39 | 179.4° | 180.0° |
| C38 | N35 | C36 | N37 | 0.7° | 0.1° |
| C38 | N35 | C36 | H36 | 179.3° | 180.0° |
| N35 | C38 | N39 | HN39 | 0.0° | 179.9° |
| N35 | C38 | N39 | HN3A | 120.0° | 0.1° |
| C38 | N39 | HN39 | HN3A | 120.0° | 180.0° |
| H01 | C01 | C02 | H02 | 0.5° | 0.3° |
| H02 | C02 | C03 | H03 | 1.6° | 0.0° |
| H081 | C08 | N09 | HN09 | 59.7° | 60.8° |
| H082 | C08 | N09 | HN09 | 60.9° | 60.8° |
| H16 | C16 | C17 | H17 | 35.7° | 53.6° |
| H16 | C16 | C17 | H17A | 154.3° | 174.2° |
| H16A | C16 | C17 | H17 | 82.3° | 66.5° |
| H16A | C16 | C17 | H17A | 36.4° | 54.0° |
| H19 | C19 | C20 | H20 | 68.6° | 66.4° |
| H19 | C19 | C20 | H20A | 49.4° | 53.6° |
| H19A | C19 | C20 | H20 | 50.9° | 54.1° |
| H19A | C19 | C20 | H20A | 168.8° | 174.1° |
| H22 | C22 | C23 | H23 | 117.3° | 146.4° |
| H23 | C23 | C24 | H24 | 30.3° | 0.0° |
| H23 | C23 | O28 | HO28 | 59.9° | 57.4° |
| H24 | C24 | C25 | H25 | 172.3° | 146.5° |
| H24 | C24 | O29 | HO29 | 58.8° | 61.3° |
