Q82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C1 | doub | 1.32Å | 1.28Å | |
| N11 | C12 | sing | 1.36Å | 1.29Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| N7 | C1 | sing | 1.40Å | 1.34Å | |
| N7 | C6 | sing | 1.44Å | 1.45Å | |
| N7 | C7 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.33Å | 1.35Å | |
| N2 | C2 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| C2 | C20 | sing | 1.51Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C31 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C61 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | C70 | sing | 1.51Å | 1.53Å | |
| C7 | H71A | sing | 1.09Å | 1.12Å | |
| C7 | H72A | sing | 1.09Å | 1.11Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.48Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C61 | C62 | sing | 1.51Å | 1.51Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.11Å | |
| C62 | C63 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C67 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.38Å | 1.39Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | doub | 1.38Å | 1.39Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | H67 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | doub | 1.38Å | 1.30Å | Aromatic |
| C70 | C75 | sing | 1.38Å | 1.40Å | Aromatic |
| C71 | C72 | sing | 1.38Å | 1.39Å | Aromatic |
| C71 | H71 | sing | 1.08Å | 1.10Å | |
| C72 | C73 | doub | 1.38Å | 1.47Å | Aromatic |
| C72 | H72 | sing | 1.08Å | 1.10Å | |
| C73 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C73 | C76 | sing | 1.51Å | 1.50Å | |
| C74 | C75 | doub | 1.38Å | 1.40Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C75 | H75 | sing | 1.08Å | 1.10Å | |
| C12 | N13 | trip | 1.14Å | 1.17Å | |
| C76 | O76 | sing | 1.43Å | 1.42Å | |
| C76 | H761 | sing | 1.09Å | 1.12Å | |
| C76 | H762 | sing | 1.09Å | 1.11Å | |
| C26 | O26 | sing | 1.43Å | 1.42Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| O76 | H76 | sing | 0.97Å | 0.95Å | |
| O26 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N11 | C12 | 121.5° | 120.0° |
| N11 | C1 | N7 | 121.3° | 122.7° |
| N11 | C1 | N2 | 118.3° | 122.4° |
| N11 | C12 | N13 | 179.0° | 179.9° |
| C4 | O4 | HO4 | 109.0° | 106.8° |
| O4 | C4 | C3 | 109.0° | 108.8° |
| O4 | C4 | C5 | 107.3° | 108.9° |
| O4 | C4 | H4 | 113.2° | 108.9° |
| C5 | O5 | HO5 | 107.6° | 106.8° |
| O5 | C5 | C4 | 107.6° | 109.3° |
| O5 | C5 | C6 | 105.4° | 109.4° |
| O5 | C5 | H5 | 114.5° | 109.4° |
| C1 | N7 | C6 | 118.4° | 117.3° |
| C1 | N7 | C7 | 123.8° | 121.4° |
| N7 | C1 | N2 | 120.4° | 114.9° |
| C6 | N7 | C7 | 117.8° | 121.3° |
| N7 | C6 | C5 | 111.5° | 115.9° |
| N7 | C6 | C61 | 106.6° | 108.2° |
| N7 | C6 | H6 | 111.2° | 108.2° |
| N7 | C7 | C70 | 116.5° | 109.5° |
| N7 | C7 | H71A | 109.7° | 109.5° |
| N7 | C7 | H72A | 109.7° | 109.5° |
| C1 | N2 | C2 | 120.2° | 118.5° |
| C1 | N2 | C3 | 121.8° | 123.0° |
| C2 | N2 | C3 | 117.5° | 118.5° |
| N2 | C2 | C20 | 114.7° | 109.5° |
| N2 | C2 | H21A | 110.3° | 109.4° |
| N2 | C2 | H22A | 110.3° | 109.5° |
| N2 | C3 | C4 | 115.6° | 105.2° |
| N2 | C3 | C31 | 105.3° | 110.4° |
| N2 | C3 | H3 | 111.0° | 110.3° |
| C20 | C2 | H21A | 110.3° | 109.5° |
| C20 | C2 | H22A | 110.3° | 109.5° |
| C2 | C20 | C21 | 120.0° | 120.0° |
| C2 | C20 | C25 | 119.1° | 120.0° |
| H21A | C2 | H22A | 99.9° | 109.4° |
| C4 | C3 | C31 | 116.6° | 110.3° |
| C4 | C3 | H3 | 98.2° | 110.3° |
| C3 | C4 | C5 | 114.8° | 112.4° |
| C3 | C4 | H4 | 105.4° | 108.9° |
| C31 | C3 | H3 | 110.0° | 110.2° |
| C3 | C31 | C32 | 112.0° | 109.5° |
| C3 | C31 | H311 | 111.3° | 109.5° |
| C3 | C31 | H312 | 111.3° | 109.5° |
| C5 | C4 | H4 | 107.2° | 108.9° |
| C4 | C5 | C6 | 112.9° | 109.9° |
| C4 | C5 | H5 | 107.2° | 109.4° |
| C6 | C5 | H5 | 109.3° | 109.4° |
| C5 | C6 | C61 | 112.7° | 108.0° |
| C5 | C6 | H6 | 105.0° | 108.2° |
| C61 | C6 | H6 | 110.0° | 108.1° |
| C6 | C61 | C62 | 111.9° | 109.5° |
| C6 | C61 | H611 | 111.4° | 109.5° |
| C6 | C61 | H612 | 111.3° | 109.5° |
| C70 | C7 | H71A | 109.6° | 109.4° |
| C70 | C7 | H72A | 109.6° | 109.5° |
| C7 | C70 | C71 | 124.3° | 120.0° |
| C7 | C70 | C75 | 117.9° | 120.0° |
| H71A | C7 | H72A | 100.5° | 109.5° |
| C21 | C20 | C25 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C20 | C25 | C24 | 122.1° | 120.0° |
| C20 | C25 | H25 | 119.3° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.4° | 120.0° |
| C21 | C22 | H22 | 117.2° | 120.0° |
| C23 | C22 | H22 | 123.4° | 120.0° |
| C22 | C23 | C24 | 118.6° | 120.0° |
| C22 | C23 | C26 | 120.9° | 120.0° |
| C24 | C23 | C26 | 120.5° | 120.0° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C23 | C26 | O26 | 113.3° | 109.5° |
| C23 | C26 | H261 | 110.7° | 109.5° |
| C23 | C26 | H262 | 110.8° | 109.5° |
| C25 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | H25 | 118.6° | 119.9° |
| C32 | C31 | H311 | 111.3° | 109.4° |
| C32 | C31 | H312 | 111.2° | 109.5° |
| C31 | C32 | C33 | 124.2° | 120.0° |
| C31 | C32 | C37 | 121.0° | 120.0° |
| H311 | C31 | H312 | 99.1° | 109.4° |
| C33 | C32 | C37 | 114.7° | 120.0° |
| C32 | C33 | C34 | 126.0° | 120.0° |
| C32 | C33 | H33 | 117.1° | 120.0° |
| C32 | C37 | C36 | 120.6° | 120.0° |
| C32 | C37 | H37 | 119.6° | 119.9° |
| C34 | C33 | H33 | 116.9° | 120.0° |
| C33 | C34 | C35 | 118.0° | 120.0° |
| C33 | C34 | H34 | 121.2° | 120.0° |
| C35 | C34 | H34 | 120.8° | 120.0° |
| C34 | C35 | C36 | 118.2° | 120.0° |
| C34 | C35 | H35 | 120.6° | 120.0° |
| C36 | C35 | H35 | 121.2° | 120.0° |
| C35 | C36 | C37 | 122.5° | 120.0° |
| C35 | C36 | H36 | 118.4° | 120.0° |
| C37 | C36 | H36 | 119.1° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.1° |
| C62 | C61 | H611 | 111.3° | 109.5° |
| C62 | C61 | H612 | 111.3° | 109.4° |
| C61 | C62 | C63 | 119.4° | 119.9° |
| C61 | C62 | C67 | 118.0° | 120.0° |
| H611 | C61 | H612 | 99.1° | 109.5° |
| C63 | C62 | C67 | 119.9° | 120.0° |
| C62 | C63 | C64 | 119.9° | 119.9° |
| C62 | C63 | H63 | 120.0° | 120.0° |
| C62 | C67 | C66 | 120.2° | 120.0° |
| C62 | C67 | H67 | 120.1° | 120.0° |
| C64 | C63 | H63 | 120.1° | 120.0° |
| C63 | C64 | C65 | 120.0° | 120.1° |
| C63 | C64 | H64 | 120.1° | 120.0° |
| C65 | C64 | H64 | 119.9° | 120.0° |
| C64 | C65 | C66 | 120.4° | 119.9° |
| C64 | C65 | H65 | 119.9° | 120.1° |
| C66 | C65 | H65 | 119.8° | 120.0° |
| C65 | C66 | C67 | 119.6° | 120.0° |
| C65 | C66 | H66 | 120.1° | 120.0° |
| C67 | C66 | H66 | 120.3° | 120.0° |
| C66 | C67 | H67 | 119.7° | 120.0° |
| C71 | C70 | C75 | 117.8° | 120.0° |
| C70 | C71 | C72 | 124.8° | 120.0° |
| C70 | C71 | H71 | 113.9° | 120.0° |
| C70 | C75 | C74 | 122.0° | 120.0° |
| C70 | C75 | H75 | 119.1° | 120.0° |
| C72 | C71 | H71 | 121.3° | 120.0° |
| C71 | C72 | C73 | 118.8° | 120.0° |
| C71 | C72 | H72 | 117.9° | 120.0° |
| C73 | C72 | H72 | 123.3° | 120.0° |
| C72 | C73 | C74 | 115.7° | 120.0° |
| C72 | C73 | C76 | 122.4° | 120.0° |
| C74 | C73 | C76 | 121.9° | 120.0° |
| C73 | C74 | C75 | 121.0° | 120.0° |
| C73 | C74 | H74 | 119.2° | 120.0° |
| C73 | C76 | O76 | 113.3° | 109.5° |
| C73 | C76 | H761 | 110.8° | 109.5° |
| C73 | C76 | H762 | 110.8° | 109.5° |
| C75 | C74 | H74 | 119.9° | 120.0° |
| C74 | C75 | H75 | 118.9° | 120.0° |
| O76 | C76 | H761 | 110.8° | 109.5° |
| O76 | C76 | H762 | 110.8° | 109.5° |
| C76 | O76 | H76 | 113.3° | 106.8° |
| H761 | C76 | H762 | 99.5° | 109.4° |
| O26 | C26 | H261 | 110.8° | 109.5° |
| O26 | C26 | H262 | 110.8° | 109.5° |
| C26 | O26 | HO6 | 113.3° | 106.8° |
| H261 | C26 | H262 | 99.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C1 | N7 | N2 | 179.3° | 179.7° |
| N11 | C1 | N7 | C6 | 109.8° | 117.4° |
| N11 | C1 | N7 | C7 | 68.0° | 62.4° |
| N11 | C1 | N2 | C2 | 10.2° | 50.7° |
| N11 | C1 | N2 | C3 | 178.2° | 129.1° |
| C1 | N11 | C12 | N13 | 92.8° | 175.1° |
| C12 | N11 | C1 | N7 | 17.9° | 0.4° |
| C12 | N11 | C1 | N2 | 161.4° | 180.0° |
| O4 | C4 | C5 | O5 | 61.4° | 79.4° |
| O4 | C4 | C3 | N2 | 165.0° | 148.2° |
| O4 | C4 | C3 | C5 | 120.5° | 120.7° |
| O4 | C4 | C3 | H4 | 121.8° | 118.6° |
| O4 | C4 | C3 | C31 | 70.4° | 92.8° |
| O4 | C4 | C3 | H3 | 46.9° | 29.3° |
| O4 | C4 | C5 | H4 | 121.9° | 118.6° |
| O4 | C4 | C5 | C6 | 177.3° | 160.6° |
| O4 | C4 | C5 | H5 | 62.3° | 40.5° |
| HO4 | O4 | C4 | C3 | 180.0° | 177.1° |
| HO4 | O4 | C4 | C5 | 55.0° | 60.0° |
| HO4 | O4 | C4 | H4 | 63.0° | 58.6° |
| O5 | C5 | C6 | N7 | 179.8° | 78.4° |
| O5 | C5 | C4 | C3 | 177.2° | 160.0° |
| O5 | C5 | C4 | C6 | 115.9° | 120.0° |
| O5 | C5 | C4 | H5 | 123.7° | 119.9° |
| O5 | C5 | C4 | H4 | 60.4° | 39.2° |
| O5 | C5 | C6 | H5 | 123.6° | 119.8° |
| O5 | C5 | C6 | C61 | 60.0° | 43.1° |
| O5 | C5 | C6 | H6 | 59.7° | 159.9° |
| HO5 | O5 | C5 | C4 | 180.0° | 59.6° |
| HO5 | O5 | C5 | C6 | 59.2° | 180.0° |
| HO5 | O5 | C5 | H5 | 60.9° | 60.2° |
| C1 | N7 | C6 | C7 | 177.9° | 179.8° |
| N7 | C1 | N2 | C2 | 169.1° | 129.0° |
| N7 | C1 | N2 | C3 | 2.5° | 51.2° |
| C1 | N7 | C6 | C5 | 86.4° | 88.4° |
| C1 | N7 | C6 | C61 | 37.0° | 150.1° |
| C1 | N7 | C6 | H6 | 156.8° | 33.3° |
| C1 | N7 | C7 | C70 | 144.5° | 84.0° |
| C1 | N7 | C7 | H71A | 19.3° | 156.1° |
| C1 | N7 | C7 | H72A | 90.2° | 36.1° |
| C6 | N7 | C1 | N2 | 70.9° | 62.9° |
| N7 | C6 | C5 | C4 | 62.6° | 41.6° |
| N7 | C6 | C5 | C61 | 119.8° | 121.6° |
| N7 | C6 | C5 | H6 | 120.5° | 121.6° |
| N7 | C6 | C5 | H5 | 56.6° | 161.7° |
| N7 | C6 | C61 | H6 | 120.7° | 116.9° |
| C6 | N7 | C7 | C70 | 33.3° | 96.3° |
| C6 | N7 | C7 | H71A | 158.5° | 23.7° |
| C6 | N7 | C7 | H72A | 92.0° | 143.7° |
| N7 | C6 | C61 | C62 | 115.4° | 171.9° |
| N7 | C6 | C61 | H611 | 119.4° | 68.1° |
| N7 | C6 | C61 | H612 | 9.9° | 52.0° |
| C7 | N7 | C1 | N2 | 111.3° | 117.3° |
| C7 | N7 | C6 | C5 | 95.7° | 91.9° |
| C7 | N7 | C6 | C61 | 141.0° | 29.6° |
| C7 | N7 | C6 | H6 | 21.1° | 146.5° |
| N7 | C7 | C70 | H71A | 125.3° | 120.0° |
| N7 | C7 | C70 | H72A | 125.3° | 120.0° |
| N7 | C7 | H71A | H72A | 115.5° | 120.0° |
| N7 | C7 | C70 | C71 | 42.9° | 90.0° |
| N7 | C7 | C70 | C75 | 137.7° | 90.0° |
| C1 | N2 | C2 | C3 | 172.0° | 179.8° |
| C1 | N2 | C2 | C20 | 146.2° | 89.8° |
| C1 | N2 | C2 | H21A | 88.5° | 30.3° |
| C1 | N2 | C2 | H22A | 20.9° | 150.2° |
| C1 | N2 | C3 | C4 | 58.7° | 77.9° |
| C1 | N2 | C3 | C31 | 71.5° | 41.2° |
| C1 | N2 | C3 | H3 | 169.4° | 163.2° |
| N2 | C2 | C20 | H21A | 125.3° | 120.0° |
| N2 | C2 | C20 | H22A | 125.3° | 120.0° |
| N2 | C2 | H21A | H22A | 116.1° | 119.9° |
| C2 | N2 | C3 | C4 | 129.5° | 102.3° |
| C2 | N2 | C3 | C31 | 100.3° | 138.6° |
| C2 | N2 | C3 | H3 | 18.7° | 16.6° |
| N2 | C2 | C20 | C21 | 66.3° | 90.0° |
| N2 | C2 | C20 | C25 | 123.7° | 90.3° |
| C3 | N2 | C2 | C20 | 41.8° | 90.0° |
| C3 | N2 | C2 | H21A | 83.5° | 149.9° |
| C3 | N2 | C2 | H22A | 167.1° | 30.0° |
| N2 | C3 | C4 | C31 | 124.6° | 119.1° |
| N2 | C3 | C4 | H3 | 118.1° | 118.9° |
| N2 | C3 | C31 | H3 | 119.7° | 122.1° |
| N2 | C3 | C4 | C5 | 74.5° | 91.1° |
| N2 | C3 | C4 | H4 | 43.2° | 29.6° |
| N2 | C3 | C31 | C32 | 68.2° | 104.1° |
| N2 | C3 | C31 | H311 | 166.5° | 135.9° |
| N2 | C3 | C31 | H312 | 57.0° | 16.0° |
| C20 | C2 | H21A | H22A | 116.2° | 120.1° |
| C2 | C20 | C21 | C25 | 169.9° | 179.7° |
| C2 | C20 | C21 | C22 | 170.9° | 180.0° |
| C2 | C20 | C21 | H21 | 9.1° | 0.0° |
| C2 | C20 | C25 | C24 | 171.6° | 179.8° |
| C2 | C20 | C25 | H25 | 8.4° | 0.2° |
| H21A | C2 | C20 | C21 | 168.4° | 30.0° |
| H21A | C2 | C20 | C25 | 1.6° | 149.8° |
| H22A | C2 | C20 | C21 | 58.9° | 150.0° |
| H22A | C2 | C20 | C25 | 111.0° | 29.7° |
| C4 | C3 | C31 | H3 | 110.6° | 122.0° |
| C3 | C4 | C5 | H4 | 116.7° | 120.8° |
| C3 | C4 | C5 | C6 | 61.3° | 39.9° |
| C3 | C4 | C5 | H5 | 59.1° | 80.2° |
| C4 | C3 | C31 | C32 | 162.1° | 140.1° |
| C4 | C3 | C31 | H311 | 36.8° | 20.1° |
| C4 | C3 | C31 | H312 | 72.7° | 99.9° |
| C31 | C3 | C4 | C5 | 50.0° | 27.9° |
| C31 | C3 | C4 | H4 | 167.8° | 148.7° |
| C3 | C31 | C32 | H311 | 125.3° | 120.0° |
| C3 | C31 | C32 | H312 | 125.2° | 120.0° |
| C3 | C31 | H311 | H312 | 117.1° | 120.0° |
| C3 | C31 | C32 | C33 | 107.2° | 90.0° |
| C3 | C31 | C32 | C37 | 77.8° | 90.3° |
| H3 | C3 | C4 | C5 | 167.3° | 149.9° |
| H3 | C3 | C4 | H4 | 74.9° | 89.3° |
| H3 | C3 | C31 | C32 | 51.5° | 18.0° |
| H3 | C3 | C31 | H311 | 73.8° | 102.0° |
| H3 | C3 | C31 | H312 | 176.7° | 138.0° |
| C4 | C5 | C6 | H5 | 119.2° | 120.1° |
| C4 | C5 | C6 | C61 | 57.2° | 163.2° |
| C4 | C5 | C6 | H6 | 176.9° | 80.0° |
| H4 | C4 | C5 | C6 | 55.4° | 80.8° |
| H4 | C4 | C5 | H5 | 175.9° | 159.1° |
| C5 | C6 | C61 | H6 | 116.7° | 116.9° |
| C5 | C6 | C61 | C62 | 122.1° | 61.9° |
| C5 | C6 | C61 | H611 | 3.2° | 58.2° |
| C5 | C6 | C61 | H612 | 112.7° | 178.2° |
| H5 | C5 | C6 | C61 | 176.4° | 76.7° |
| H5 | C5 | C6 | H6 | 63.9° | 40.1° |
| C6 | C61 | C62 | H611 | 125.3° | 120.1° |
| C6 | C61 | C62 | H612 | 125.2° | 120.0° |
| C6 | C61 | H611 | H612 | 117.2° | 120.0° |
| C6 | C61 | C62 | C63 | 44.8° | 93.8° |
| C6 | C61 | C62 | C67 | 116.8° | 86.4° |
| H6 | C6 | C61 | C62 | 5.3° | 55.0° |
| H6 | C6 | C61 | H611 | 119.9° | 175.0° |
| H6 | C6 | C61 | H612 | 130.5° | 64.9° |
| C70 | C7 | H71A | H72A | 115.4° | 120.0° |
| C7 | C70 | C71 | C75 | 179.4° | 180.0° |
| C7 | C70 | C71 | C72 | 179.7° | 180.0° |
| C7 | C70 | C71 | H71 | 0.2° | 0.0° |
| C7 | C70 | C75 | C74 | 180.0° | 179.8° |
| C7 | C70 | C75 | H75 | 0.0° | 0.1° |
| H71A | C7 | C70 | C71 | 82.4° | 150.0° |
| H71A | C7 | C70 | C75 | 97.0° | 30.0° |
| H72A | C7 | C70 | C71 | 168.2° | 30.0° |
| H72A | C7 | C70 | C75 | 12.4° | 150.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H22 | 179.4° | 180.0° |
| C21 | C20 | C25 | C24 | 1.6° | 0.4° |
| C21 | C20 | C25 | H25 | 178.3° | 180.0° |
| C25 | C20 | C21 | C22 | 1.1° | 0.3° |
| C25 | C20 | C21 | H21 | 178.9° | 179.8° |
| C20 | C25 | C24 | C23 | 1.7° | 0.4° |
| C20 | C25 | C24 | H25 | 180.0° | 179.6° |
| C20 | C25 | C24 | H24 | 178.3° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C21 | C22 | C23 | C26 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 179.4° | 180.0° |
| H21 | C21 | C22 | H22 | 0.6° | 0.0° |
| C22 | C23 | C24 | C26 | 179.4° | 179.9° |
| C22 | C23 | C24 | C25 | 1.2° | 0.2° |
| C22 | C23 | C24 | H24 | 178.8° | 180.0° |
| C22 | C23 | C26 | O26 | 174.8° | 90.1° |
| C22 | C23 | C26 | H261 | 49.6° | 149.9° |
| C22 | C23 | C26 | H262 | 59.9° | 30.0° |
| H22 | C22 | C23 | C24 | 179.3° | 180.0° |
| H22 | C22 | C23 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | H25 | 178.2° | 180.0° |
| C24 | C23 | C26 | O26 | 5.8° | 90.0° |
| C24 | C23 | C26 | H261 | 131.1° | 30.0° |
| C24 | C23 | C26 | H262 | 119.5° | 150.0° |
| C26 | C23 | C24 | C25 | 179.4° | 179.8° |
| C26 | C23 | C24 | H24 | 0.6° | 0.1° |
| C23 | C26 | O26 | H261 | 125.2° | 120.0° |
| C23 | C26 | O26 | H262 | 125.2° | 120.0° |
| C23 | C26 | H261 | H262 | 116.6° | 120.0° |
| C23 | C26 | O26 | HO6 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 1.8° | 0.2° |
| C32 | C31 | H311 | H312 | 117.1° | 120.0° |
| C31 | C32 | C33 | C37 | 175.4° | 179.8° |
| C31 | C32 | C33 | C34 | 175.6° | 180.0° |
| C31 | C32 | C33 | H33 | 4.4° | 0.0° |
| C31 | C32 | C37 | C36 | 175.5° | 179.8° |
| C31 | C32 | C37 | H37 | 4.5° | 0.2° |
| H311 | C31 | C32 | C33 | 127.5° | 30.1° |
| H311 | C31 | C32 | C37 | 47.5° | 149.7° |
| H312 | C31 | C32 | C33 | 18.1° | 150.0° |
| H312 | C31 | C32 | C37 | 157.0° | 29.8° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.5° | 0.1° |
| C32 | C33 | C34 | H34 | 179.5° | 179.9° |
| C33 | C32 | C37 | C36 | 0.1° | 0.5° |
| C33 | C32 | C37 | H37 | 180.0° | 180.0° |
| C37 | C32 | C33 | C34 | 0.3° | 0.2° |
| C37 | C32 | C33 | H33 | 179.7° | 179.7° |
| C32 | C37 | C36 | C35 | 0.2° | 0.4° |
| C32 | C37 | C36 | H37 | 180.0° | 179.6° |
| C32 | C37 | C36 | H36 | 179.8° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.4° | 0.1° |
| C33 | C34 | C35 | H35 | 179.6° | 179.9° |
| H33 | C33 | C34 | C35 | 179.5° | 180.0° |
| H33 | C33 | C34 | H34 | 0.5° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| H34 | C34 | C35 | C36 | 179.6° | 180.0° |
| H34 | C34 | C35 | H35 | 0.4° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| H35 | C35 | C36 | C37 | 180.0° | 179.8° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.2° |
| C62 | C61 | H611 | H612 | 117.2° | 119.9° |
| C61 | C62 | C63 | C67 | 161.3° | 179.8° |
| C61 | C62 | C63 | C64 | 160.9° | 180.0° |
| C61 | C62 | C63 | H63 | 19.1° | 0.1° |
| C61 | C62 | C67 | C66 | 161.2° | 179.8° |
| C61 | C62 | C67 | H67 | 18.7° | 0.2° |
| H611 | C61 | C62 | C63 | 80.4° | 26.2° |
| H611 | C61 | C62 | C67 | 117.9° | 153.5° |
| H612 | C61 | C62 | C63 | 170.1° | 146.2° |
| H612 | C61 | C62 | C67 | 8.4° | 33.6° |
| C62 | C63 | C64 | H63 | 180.0° | 179.9° |
| C62 | C63 | C64 | C65 | 0.6° | 0.1° |
| C62 | C63 | C64 | H64 | 179.4° | 180.0° |
| C63 | C62 | C67 | C66 | 0.3° | 0.4° |
| C63 | C62 | C67 | H67 | 179.7° | 179.9° |
| C67 | C62 | C63 | C64 | 0.4° | 0.2° |
| C67 | C62 | C63 | H63 | 179.6° | 179.7° |
| C62 | C67 | C66 | C65 | 0.4° | 0.4° |
| C62 | C67 | C66 | H67 | 180.0° | 179.6° |
| C62 | C67 | C66 | H66 | 179.6° | 179.7° |
| C63 | C64 | C65 | H64 | 180.0° | 179.9° |
| C63 | C64 | C65 | C66 | 0.6° | 0.1° |
| C63 | C64 | C65 | H65 | 179.4° | 180.0° |
| H63 | C63 | C64 | C65 | 179.4° | 180.0° |
| H63 | C63 | C64 | H64 | 0.6° | 0.1° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | C67 | 0.5° | 0.1° |
| C64 | C65 | C66 | H66 | 179.5° | 180.0° |
| H64 | C64 | C65 | C66 | 179.3° | 180.0° |
| H64 | C64 | C65 | H65 | 0.6° | 0.1° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | H67 | 179.6° | 180.0° |
| H65 | C65 | C66 | C67 | 179.5° | 179.8° |
| H65 | C65 | C66 | H66 | 0.5° | 0.1° |
| H66 | C66 | C67 | H67 | 0.3° | 0.1° |
| C70 | C71 | C72 | H71 | 180.0° | 180.0° |
| C70 | C71 | C72 | C73 | 0.3° | 0.0° |
| C70 | C71 | C72 | H72 | 179.7° | 180.0° |
| C71 | C70 | C75 | C74 | 0.6° | 0.2° |
| C71 | C70 | C75 | H75 | 179.4° | 180.0° |
| C75 | C70 | C71 | C72 | 0.4° | 0.0° |
| C75 | C70 | C71 | H71 | 179.6° | 180.0° |
| C70 | C75 | C74 | C73 | 0.8° | 0.4° |
| C70 | C75 | C74 | H75 | 180.0° | 179.8° |
| C70 | C75 | C74 | H74 | 179.3° | 180.0° |
| C71 | C72 | C73 | H72 | 180.0° | 180.0° |
| C71 | C72 | C73 | C74 | 0.5° | 0.2° |
| C71 | C72 | C73 | C76 | 179.8° | 180.0° |
| H71 | C71 | C72 | C73 | 179.6° | 180.0° |
| H71 | C71 | C72 | H72 | 0.3° | 0.0° |
| C72 | C73 | C74 | C76 | 179.3° | 179.8° |
| C72 | C73 | C74 | C75 | 0.7° | 0.4° |
| C72 | C73 | C74 | H74 | 179.4° | 180.0° |
| C72 | C73 | C76 | O76 | 18.4° | 90.0° |
| C72 | C73 | C76 | H761 | 143.6° | 30.0° |
| C72 | C73 | C76 | H762 | 106.9° | 150.0° |
| H72 | C72 | C73 | C74 | 179.6° | 179.8° |
| H72 | C72 | C73 | C76 | 0.3° | 0.0° |
| C73 | C74 | C75 | H74 | 180.0° | 179.6° |
| C73 | C74 | C75 | H75 | 179.2° | 179.8° |
| C74 | C73 | C76 | O76 | 162.4° | 90.2° |
| C74 | C73 | C76 | H761 | 37.1° | 149.7° |
| C74 | C73 | C76 | H762 | 72.4° | 29.8° |
| C76 | C73 | C74 | C75 | 180.0° | 179.8° |
| C76 | C73 | C74 | H74 | 0.1° | 0.2° |
| C73 | C76 | O76 | H761 | 125.3° | 120.0° |
| C73 | C76 | O76 | H762 | 125.3° | 120.0° |
| C73 | C76 | H761 | H762 | 116.7° | 120.0° |
| C73 | C76 | O76 | H76 | 180.0° | 180.0° |
| H74 | C74 | C75 | H75 | 0.7° | 0.2° |
| O76 | C76 | H761 | H762 | 116.6° | 120.0° |
| H761 | C76 | O76 | H76 | 54.7° | 60.0° |
| H762 | C76 | O76 | H76 | 54.7° | 59.9° |
| O26 | C26 | H261 | H262 | 116.7° | 120.0° |
| H261 | C26 | O26 | HO6 | 54.8° | 60.0° |
| H262 | C26 | O26 | HO6 | 54.8° | 60.0° |
