XK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | N2 | sing | 1.32Å | 1.37Å | |
| C1 | N7 | sing | 1.34Å | 1.37Å | |
| N2 | C2 | sing | 1.46Å | 1.47Å | |
| N2 | C3 | sing | 1.46Å | 1.48Å | |
| C2 | C20 | sing | 1.51Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | C31 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | N7 | sing | 1.46Å | 1.47Å | |
| C6 | C61 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| N7 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C70 | sing | 1.51Å | 1.51Å | |
| C7 | H71A | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C29 | sing | 1.36Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.36Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.41Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C28 | sing | 1.42Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.36Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.41Å | 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 | 1.12Å | |
| C62 | C63 | doub | 1.38Å | 1.42Å | Aromatic |
| C62 | C67 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | doub | 1.38Å | 1.42Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.38Å | 1.41Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | doub | 1.38Å | 1.41Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | H67 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | doub | 1.36Å | 1.41Å | Aromatic |
| C70 | C79 | sing | 1.39Å | 1.42Å | Aromatic |
| C71 | C72 | sing | 1.40Å | 1.39Å | Aromatic |
| C71 | H71 | sing | 1.08Å | 1.10Å | |
| C72 | C73 | doub | 1.40Å | 1.42Å | Aromatic |
| C72 | C77 | sing | 1.42Å | 1.43Å | Aromatic |
| C73 | C74 | sing | 1.36Å | 1.42Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C74 | C75 | doub | 1.39Å | 1.42Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C75 | C76 | sing | 1.36Å | 1.42Å | Aromatic |
| C75 | H75 | sing | 1.08Å | 1.10Å | |
| C76 | C77 | doub | 1.41Å | 1.42Å | Aromatic |
| C76 | H76 | sing | 1.08Å | 1.10Å | |
| C77 | C78 | sing | 1.40Å | 1.42Å | Aromatic |
| C78 | C79 | doub | 1.36Å | 1.40Å | Aromatic |
| C78 | H78 | sing | 1.08Å | 1.10Å | |
| C79 | H79 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 117.3° | 116.9° |
| O1 | C1 | N7 | 119.4° | 117.0° |
| N2 | C1 | N7 | 123.2° | 126.1° |
| C1 | N2 | C2 | 115.5° | 117.9° |
| C1 | N2 | C3 | 124.0° | 124.3° |
| C1 | N7 | C6 | 125.6° | 121.3° |
| C1 | N7 | C7 | 117.3° | 119.3° |
| C2 | N2 | C3 | 119.4° | 117.8° |
| N2 | C2 | C20 | 120.0° | 109.4° |
| N2 | C2 | H21A | 108.5° | 109.5° |
| N2 | C2 | H22A | 108.5° | 109.5° |
| N2 | C3 | C4 | 117.2° | 110.8° |
| N2 | C3 | C31 | 109.1° | 109.3° |
| N2 | C3 | H3 | 107.0° | 109.2° |
| C20 | C2 | H21A | 108.4° | 109.4° |
| C20 | C2 | H22A | 108.4° | 109.5° |
| C2 | C20 | C21 | 122.5° | 119.5° |
| C2 | C20 | C29 | 115.9° | 119.5° |
| H21A | C2 | H22A | 101.5° | 109.4° |
| C4 | C3 | C31 | 116.3° | 108.9° |
| C4 | C3 | H3 | 97.8° | 109.4° |
| C3 | C4 | O4 | 103.2° | 108.9° |
| C3 | C4 | C5 | 112.3° | 112.0° |
| C3 | C4 | H4 | 113.1° | 108.9° |
| C31 | C3 | H3 | 108.1° | 109.2° |
| C3 | C31 | C32 | 111.9° | 109.5° |
| C3 | C31 | H311 | 111.3° | 109.5° |
| C3 | C31 | H312 | 111.3° | 109.4° |
| O4 | C4 | C5 | 113.1° | 109.0° |
| O4 | C4 | H4 | 112.4° | 108.9° |
| C4 | O4 | HO4 | 103.1° | 106.8° |
| C5 | C4 | H4 | 103.2° | 109.0° |
| C4 | C5 | O5 | 111.5° | 109.1° |
| C4 | C5 | C6 | 110.5° | 111.5° |
| C4 | C5 | H5 | 106.4° | 109.1° |
| O5 | C5 | C6 | 106.3° | 109.0° |
| O5 | C5 | H5 | 110.6° | 109.1° |
| C5 | O5 | HO5 | 111.4° | 106.8° |
| C6 | C5 | H5 | 111.5° | 109.1° |
| C5 | C6 | N7 | 118.1° | 110.8° |
| C5 | C6 | C61 | 116.5° | 109.2° |
| C5 | C6 | H6 | 96.5° | 109.2° |
| N7 | C6 | C61 | 107.8° | 109.1° |
| N7 | C6 | H6 | 107.4° | 109.2° |
| C6 | N7 | C7 | 116.6° | 119.4° |
| C61 | C6 | H6 | 109.5° | 109.3° |
| C6 | C61 | C62 | 111.4° | 109.5° |
| C6 | C61 | H611 | 111.5° | 109.5° |
| C6 | C61 | H612 | 111.5° | 109.5° |
| N7 | C7 | C70 | 119.7° | 109.4° |
| N7 | C7 | H71A | 108.5° | 109.5° |
| N7 | C7 | H72 | 108.5° | 109.5° |
| C70 | C7 | H71A | 108.6° | 109.5° |
| C70 | C7 | H72 | 108.6° | 109.4° |
| C7 | C70 | C71 | 114.6° | 119.5° |
| C7 | C70 | C79 | 123.2° | 119.5° |
| H71A | C7 | H72 | 101.4° | 109.4° |
| C21 | C20 | C29 | 121.3° | 121.0° |
| C20 | C21 | C22 | 120.0° | 121.0° |
| C20 | C21 | H21 | 120.4° | 119.4° |
| C20 | C29 | C28 | 118.8° | 119.7° |
| C20 | C29 | H29 | 120.8° | 120.2° |
| C22 | C21 | H21 | 119.5° | 119.5° |
| C21 | C22 | C23 | 118.8° | 119.6° |
| C21 | C22 | H22 | 120.4° | 120.2° |
| C23 | C22 | H22 | 120.8° | 120.2° |
| C22 | C23 | C24 | 120.1° | 121.3° |
| C22 | C23 | C28 | 120.8° | 119.3° |
| C24 | C23 | C28 | 119.0° | 119.4° |
| C23 | C24 | C25 | 119.9° | 119.6° |
| C23 | C24 | H24 | 119.8° | 120.2° |
| C23 | C28 | C27 | 120.2° | 119.3° |
| C23 | C28 | C29 | 120.2° | 119.4° |
| C25 | C24 | H24 | 120.3° | 120.2° |
| C24 | C25 | C26 | 121.5° | 121.0° |
| C24 | C25 | H25 | 119.9° | 119.5° |
| C26 | C25 | H25 | 118.6° | 119.5° |
| C25 | C26 | C27 | 119.1° | 121.0° |
| C25 | C26 | H26 | 120.0° | 119.4° |
| C27 | C26 | H26 | 120.9° | 119.6° |
| C26 | C27 | C28 | 120.2° | 119.7° |
| C26 | C27 | H27 | 119.6° | 120.1° |
| C28 | C27 | H27 | 120.1° | 120.2° |
| C27 | C28 | C29 | 119.5° | 121.3° |
| C28 | C29 | H29 | 120.4° | 120.2° |
| C32 | C31 | H311 | 111.3° | 109.5° |
| C32 | C31 | H312 | 111.3° | 109.4° |
| C31 | C32 | C33 | 120.1° | 119.9° |
| C31 | C32 | C37 | 120.0° | 120.1° |
| H311 | C31 | H312 | 99.1° | 109.5° |
| C33 | C32 | C37 | 119.7° | 120.0° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C32 | C33 | H33 | 120.1° | 120.0° |
| C32 | C37 | C36 | 119.9° | 120.1° |
| C32 | C37 | H37 | 120.4° | 119.9° |
| C34 | C33 | H33 | 119.6° | 120.0° |
| C33 | C34 | C35 | 119.2° | 120.0° |
| C33 | C34 | H34 | 120.7° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H35 | 119.3° | 120.0° |
| C36 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C35 | C36 | H36 | 120.2° | 119.9° |
| C37 | C36 | H36 | 119.8° | 120.1° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C62 | C61 | H611 | 111.5° | 109.5° |
| C62 | C61 | H612 | 111.5° | 109.4° |
| C61 | C62 | C63 | 120.3° | 120.0° |
| C61 | C62 | C67 | 118.8° | 120.0° |
| H611 | C61 | H612 | 98.8° | 109.5° |
| C63 | C62 | C67 | 120.8° | 120.0° |
| C62 | C63 | C64 | 119.2° | 120.0° |
| C62 | C63 | H63 | 120.6° | 120.0° |
| C62 | C67 | C66 | 120.0° | 120.0° |
| C62 | C67 | H67 | 120.1° | 120.0° |
| C64 | C63 | H63 | 120.2° | 120.0° |
| C63 | C64 | C65 | 119.7° | 120.0° |
| C63 | C64 | H64 | 119.8° | 120.0° |
| C65 | C64 | H64 | 120.5° | 120.0° |
| C64 | C65 | C66 | 121.0° | 120.0° |
| C64 | C65 | H65 | 120.1° | 120.0° |
| C66 | C65 | H65 | 118.9° | 120.0° |
| C65 | C66 | C67 | 119.3° | 120.0° |
| C65 | C66 | H66 | 120.2° | 120.0° |
| C67 | C66 | H66 | 120.5° | 120.0° |
| C66 | C67 | H67 | 119.9° | 120.0° |
| C71 | C70 | C79 | 121.8° | 121.0° |
| C70 | C71 | C72 | 119.0° | 119.7° |
| C70 | C71 | H71 | 121.0° | 120.2° |
| C70 | C79 | C78 | 119.6° | 121.0° |
| C70 | C79 | H79 | 120.9° | 119.5° |
| C72 | C71 | H71 | 120.0° | 120.1° |
| C71 | C72 | C73 | 119.1° | 121.3° |
| C71 | C72 | C77 | 119.7° | 119.3° |
| C73 | C72 | C77 | 121.3° | 119.4° |
| C72 | C73 | C74 | 119.5° | 119.6° |
| C72 | C73 | H73 | 120.4° | 120.2° |
| C72 | C77 | C76 | 118.8° | 119.3° |
| C72 | C77 | C78 | 120.9° | 119.4° |
| C74 | C73 | H73 | 120.1° | 120.2° |
| C73 | C74 | C75 | 119.2° | 121.0° |
| C73 | C74 | H74 | 120.4° | 119.5° |
| C75 | C74 | H74 | 120.5° | 119.5° |
| C74 | C75 | C76 | 121.6° | 121.0° |
| C74 | C75 | H75 | 119.1° | 119.5° |
| C76 | C75 | H75 | 119.3° | 119.5° |
| C75 | C76 | C77 | 119.7° | 119.7° |
| C75 | C76 | H76 | 120.3° | 120.2° |
| C77 | C76 | H76 | 120.0° | 120.1° |
| C76 | C77 | C78 | 120.3° | 121.3° |
| C77 | C78 | C79 | 119.0° | 119.6° |
| C77 | C78 | H78 | 121.4° | 120.2° |
| C79 | C78 | H78 | 119.7° | 120.2° |
| C78 | C79 | H79 | 119.5° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | N7 | 179.5° | 179.9° |
| O1 | C1 | N2 | C2 | 18.7° | 7.6° |
| O1 | C1 | N2 | C3 | 149.3° | 172.3° |
| O1 | C1 | N7 | C6 | 156.0° | 162.4° |
| O1 | C1 | N7 | C7 | 15.4° | 17.5° |
| C1 | N2 | C2 | C3 | 168.6° | 180.0° |
| C1 | N2 | C2 | C20 | 139.9° | 90.1° |
| C1 | N2 | C2 | H21A | 94.9° | 150.0° |
| C1 | N2 | C2 | H22A | 14.6° | 30.0° |
| C1 | N2 | C3 | C4 | 67.4° | 43.3° |
| C1 | N2 | C3 | C31 | 67.5° | 76.6° |
| C1 | N2 | C3 | H3 | 175.8° | 164.0° |
| N2 | C1 | N7 | C6 | 24.5° | 17.7° |
| N2 | C1 | N7 | C7 | 164.1° | 162.4° |
| N7 | C1 | N2 | C2 | 161.8° | 172.4° |
| N7 | C1 | N2 | C3 | 30.2° | 7.6° |
| C1 | N7 | C6 | C5 | 65.0° | 78.8° |
| C1 | N7 | C6 | C7 | 171.5° | 179.9° |
| C1 | N7 | C6 | C61 | 69.5° | 160.9° |
| C1 | N7 | C6 | H6 | 172.6° | 41.5° |
| C1 | N7 | C7 | C70 | 138.4° | 84.1° |
| C1 | N7 | C7 | H71A | 96.3° | 35.9° |
| C1 | N7 | C7 | H72 | 13.1° | 155.9° |
| N2 | C2 | C20 | H21A | 125.3° | 120.0° |
| N2 | C2 | C20 | H22A | 125.3° | 120.0° |
| N2 | C2 | H21A | H22A | 114.1° | 120.0° |
| C2 | N2 | C3 | C4 | 125.0° | 136.6° |
| C2 | N2 | C3 | C31 | 100.1° | 103.4° |
| C2 | N2 | C3 | H3 | 16.5° | 16.0° |
| N2 | C2 | C20 | C21 | 48.4° | 90.0° |
| N2 | C2 | C20 | C29 | 137.5° | 90.3° |
| C3 | N2 | C2 | C20 | 51.5° | 89.9° |
| C3 | N2 | C2 | H21A | 73.8° | 30.1° |
| C3 | N2 | C2 | H22A | 176.8° | 150.0° |
| N2 | C3 | C4 | C31 | 131.7° | 120.2° |
| N2 | C3 | C4 | H3 | 113.7° | 120.5° |
| N2 | C3 | C31 | H3 | 116.0° | 119.4° |
| N2 | C3 | C4 | O4 | 165.3° | 154.0° |
| N2 | C3 | C4 | C5 | 72.6° | 85.3° |
| N2 | C3 | C4 | H4 | 43.7° | 35.4° |
| N2 | C3 | C31 | C32 | 69.4° | 118.3° |
| N2 | C3 | C31 | H311 | 165.3° | 121.6° |
| N2 | C3 | C31 | H312 | 55.8° | 1.6° |
| C20 | C2 | H21A | H22A | 114.1° | 120.0° |
| C2 | C20 | C21 | C29 | 173.8° | 179.7° |
| C2 | C20 | C21 | C22 | 172.4° | 180.0° |
| C2 | C20 | C21 | H21 | 7.6° | 0.0° |
| C2 | C20 | C29 | C28 | 172.9° | 179.7° |
| C2 | C20 | C29 | H29 | 7.1° | 0.0° |
| H21A | C2 | C20 | C21 | 173.7° | 30.0° |
| H21A | C2 | C20 | C29 | 12.2° | 149.7° |
| H22A | C2 | C20 | C21 | 76.9° | 150.0° |
| H22A | C2 | C20 | C29 | 97.2° | 29.7° |
| C4 | C3 | C31 | H3 | 108.7° | 119.4° |
| C3 | C4 | O4 | C5 | 121.5° | 122.5° |
| C3 | C4 | O4 | H4 | 122.1° | 118.6° |
| C3 | C4 | C5 | H4 | 122.1° | 120.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 178.7° |
| C3 | C4 | C5 | O5 | 173.7° | 151.4° |
| C3 | C4 | C5 | C6 | 68.2° | 30.9° |
| C3 | C4 | C5 | H5 | 53.0° | 89.6° |
| C4 | C3 | C31 | C32 | 155.3° | 120.6° |
| C4 | C3 | C31 | H311 | 30.0° | 0.5° |
| C4 | C3 | C31 | H312 | 79.5° | 119.5° |
| C31 | C3 | C4 | O4 | 63.0° | 85.8° |
| C31 | C3 | C4 | C5 | 59.1° | 34.9° |
| C31 | C3 | C4 | H4 | 175.4° | 155.6° |
| C3 | C31 | C32 | H311 | 125.3° | 120.1° |
| C3 | C31 | C32 | H312 | 125.2° | 119.9° |
| C3 | C31 | H311 | H312 | 117.2° | 120.0° |
| C3 | C31 | C32 | C33 | 98.4° | 90.1° |
| C3 | C31 | C32 | C37 | 76.5° | 90.2° |
| H3 | C3 | C4 | O4 | 51.7° | 33.5° |
| H3 | C3 | C4 | C5 | 173.7° | 154.2° |
| H3 | C3 | C4 | H4 | 70.0° | 85.1° |
| H3 | C3 | C31 | C32 | 46.6° | 1.1° |
| H3 | C3 | C31 | H311 | 78.7° | 118.9° |
| H3 | C3 | C31 | H312 | 171.8° | 121.1° |
| O4 | C4 | C5 | H4 | 121.7° | 118.7° |
| O4 | C4 | C5 | O5 | 57.5° | 88.0° |
| O4 | C4 | C5 | C6 | 175.5° | 151.6° |
| O4 | C4 | C5 | H5 | 63.2° | 31.0° |
| C5 | C4 | O4 | HO4 | 58.5° | 58.8° |
| C4 | C5 | O5 | C6 | 120.5° | 122.0° |
| C4 | C5 | O5 | H5 | 118.2° | 119.0° |
| C4 | C5 | C6 | H5 | 118.1° | 120.5° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C4 | C5 | C6 | N7 | 71.1° | 53.5° |
| C4 | C5 | C6 | C61 | 59.7° | 173.7° |
| C4 | C5 | C6 | H6 | 175.2° | 66.8° |
| H4 | C4 | O4 | HO4 | 57.9° | 60.1° |
| H4 | C4 | C5 | O5 | 64.2° | 30.8° |
| H4 | C4 | C5 | C6 | 53.9° | 89.7° |
| H4 | C4 | C5 | H5 | 175.1° | 149.8° |
| O5 | C5 | C6 | H5 | 120.7° | 119.0° |
| O5 | C5 | C6 | N7 | 167.8° | 67.0° |
| O5 | C5 | C6 | C61 | 61.5° | 53.2° |
| O5 | C5 | C6 | H6 | 54.1° | 172.7° |
| C6 | C5 | O5 | HO5 | 59.5° | 178.0° |
| C5 | C6 | N7 | C61 | 134.6° | 120.3° |
| C5 | C6 | N7 | H6 | 107.5° | 120.4° |
| C5 | C6 | C61 | H6 | 108.0° | 119.4° |
| C5 | C6 | N7 | C7 | 123.5° | 101.2° |
| C5 | C6 | C61 | C62 | 152.1° | 65.6° |
| C5 | C6 | C61 | H611 | 26.8° | 54.5° |
| C5 | C6 | C61 | H612 | 82.7° | 174.5° |
| H5 | C5 | O5 | HO5 | 61.8° | 59.1° |
| H5 | C5 | C6 | N7 | 47.1° | 174.1° |
| H5 | C5 | C6 | C61 | 177.8° | 65.7° |
| H5 | C5 | C6 | H6 | 66.6° | 53.7° |
| N7 | C6 | C61 | H6 | 116.6° | 119.3° |
| C6 | N7 | C7 | C70 | 49.4° | 96.0° |
| C6 | N7 | C7 | H71A | 75.9° | 144.0° |
| C6 | N7 | C7 | H72 | 174.7° | 24.0° |
| N7 | C6 | C61 | C62 | 72.5° | 173.2° |
| N7 | C6 | C61 | H611 | 162.2° | 66.8° |
| N7 | C6 | C61 | H612 | 52.7° | 53.3° |
| C61 | C6 | N7 | C7 | 102.0° | 19.0° |
| C6 | C61 | C62 | H611 | 125.3° | 120.1° |
| C6 | C61 | C62 | H612 | 125.2° | 120.0° |
| C6 | C61 | H611 | H612 | 117.4° | 120.0° |
| C6 | C61 | C62 | C63 | 69.7° | 95.3° |
| C6 | C61 | C62 | C67 | 109.9° | 84.9° |
| H6 | C6 | N7 | C7 | 15.9° | 138.4° |
| H6 | C6 | C61 | C62 | 44.1° | 53.9° |
| H6 | C6 | C61 | H611 | 81.2° | 173.9° |
| H6 | C6 | C61 | H612 | 169.3° | 66.1° |
| N7 | C7 | C70 | H71A | 125.3° | 120.0° |
| N7 | C7 | C70 | H72 | 125.2° | 120.0° |
| N7 | C7 | H71A | H72 | 114.2° | 120.0° |
| N7 | C7 | C70 | C71 | 129.5° | 96.9° |
| N7 | C7 | C70 | C79 | 57.0° | 83.4° |
| C70 | C7 | H71A | H72 | 114.3° | 120.0° |
| C7 | C70 | C71 | C79 | 173.6° | 179.7° |
| C7 | C70 | C71 | C72 | 172.6° | 179.8° |
| C7 | C70 | C71 | H71 | 7.4° | 0.0° |
| C7 | C70 | C79 | C78 | 171.7° | 180.0° |
| C7 | C70 | C79 | H79 | 8.3° | 0.0° |
| H71A | C7 | C70 | C71 | 4.2° | 143.1° |
| H71A | C7 | C70 | C79 | 177.8° | 36.7° |
| H72 | C7 | C70 | C71 | 105.2° | 23.1° |
| H72 | C7 | C70 | C79 | 68.3° | 156.6° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | H22 | 179.6° | 179.9° |
| C21 | C20 | C29 | C28 | 1.4° | 0.6° |
| C21 | C20 | C29 | H29 | 178.7° | 179.7° |
| C29 | C20 | C21 | C22 | 1.5° | 0.3° |
| C29 | C20 | C21 | H21 | 178.6° | 179.7° |
| C20 | C29 | C28 | C23 | 0.2° | 0.6° |
| C20 | C29 | C28 | C27 | 177.9° | 179.7° |
| C20 | C29 | C28 | H29 | 179.9° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 177.2° | 180.0° |
| C21 | C22 | C23 | C28 | 0.7° | 0.1° |
| H21 | C21 | C22 | C23 | 179.6° | 180.0° |
| H21 | C21 | C22 | H22 | 0.4° | 0.0° |
| C22 | C23 | C24 | C28 | 177.9° | 179.9° |
| C22 | C23 | C24 | C25 | 178.6° | 180.0° |
| C22 | C23 | C24 | H24 | 1.3° | 0.1° |
| C22 | C23 | C28 | C27 | 178.9° | 180.0° |
| C22 | C23 | C28 | C29 | 0.8° | 0.4° |
| H22 | C22 | C23 | C24 | 2.8° | 0.0° |
| H22 | C22 | C23 | C28 | 179.3° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 1.0° | 0.0° |
| C24 | C23 | C28 | C29 | 177.1° | 179.7° |
| C28 | C23 | C24 | C25 | 0.7° | 0.0° |
| C28 | C23 | C24 | H24 | 179.3° | 179.9° |
| C23 | C28 | C27 | C26 | 0.6° | 0.0° |
| C23 | C28 | C27 | C29 | 178.1° | 179.7° |
| C23 | C28 | C27 | H27 | 179.4° | 179.9° |
| C23 | C28 | C29 | H29 | 179.8° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| H24 | C24 | C25 | C26 | 179.9° | 179.9° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.7° | 180.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 177.5° | 179.7° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| C27 | C28 | C29 | H29 | 2.1° | 0.0° |
| H27 | C27 | C28 | C29 | 2.5° | 0.3° |
| C32 | C31 | H311 | H312 | 117.2° | 120.0° |
| C31 | C32 | C33 | C37 | 174.9° | 179.8° |
| C31 | C32 | C33 | C34 | 173.6° | 180.0° |
| C31 | C32 | C33 | H33 | 6.4° | 0.1° |
| C31 | C32 | C37 | C36 | 174.2° | 179.8° |
| C31 | C32 | C37 | H37 | 5.8° | 0.2° |
| H311 | C31 | C32 | C33 | 136.3° | 30.0° |
| H311 | C31 | C32 | C37 | 48.7° | 149.8° |
| H312 | C31 | C32 | C33 | 26.8° | 150.0° |
| H312 | C31 | C32 | C37 | 158.2° | 29.7° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.9° | 0.0° |
| C32 | C33 | C34 | H34 | 179.1° | 179.9° |
| C33 | C32 | C37 | C36 | 0.8° | 0.4° |
| C33 | C32 | C37 | H37 | 179.2° | 179.9° |
| C37 | C32 | C33 | C34 | 1.4° | 0.3° |
| C37 | C32 | C33 | H33 | 178.7° | 179.8° |
| C32 | C37 | C36 | C35 | 0.3° | 0.4° |
| C32 | C37 | C36 | H37 | 180.0° | 179.6° |
| C32 | C37 | C36 | H36 | 179.8° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| H33 | C33 | C34 | C35 | 179.1° | 179.9° |
| H33 | C33 | C34 | H34 | 0.9° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.8° | 0.1° |
| C34 | C35 | C36 | H36 | 179.3° | 180.0° |
| H34 | C34 | C35 | C36 | 179.8° | 180.0° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| C35 | C36 | C37 | H36 | 179.9° | 179.9° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| H35 | C35 | C36 | C37 | 179.2° | 179.8° |
| H35 | C35 | C36 | H36 | 0.7° | 0.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.2° |
| C62 | C61 | H611 | H612 | 117.4° | 119.9° |
| C61 | C62 | C63 | C67 | 179.6° | 179.8° |
| C61 | C62 | C63 | C64 | 179.3° | 180.0° |
| C61 | C62 | C63 | H63 | 0.7° | 0.0° |
| C61 | C62 | C67 | C66 | 179.6° | 179.7° |
| C61 | C62 | C67 | H67 | 0.4° | 0.1° |
| H611 | C61 | C62 | C63 | 55.6° | 24.8° |
| H611 | C61 | C62 | C67 | 124.8° | 155.0° |
| H612 | C61 | C62 | C63 | 165.1° | 144.8° |
| H612 | C61 | C62 | C67 | 15.3° | 35.0° |
| C62 | C63 | C64 | H63 | 180.0° | 179.9° |
| C62 | C63 | C64 | C65 | 0.2° | 0.0° |
| C62 | C63 | C64 | H64 | 179.8° | 179.9° |
| C63 | C62 | C67 | C66 | 0.0° | 0.5° |
| C63 | C62 | C67 | H67 | 180.0° | 179.9° |
| C67 | C62 | C63 | C64 | 0.2° | 0.3° |
| C67 | C62 | C63 | H63 | 179.8° | 179.8° |
| C62 | C67 | C66 | C65 | 0.3° | 0.5° |
| C62 | C67 | C66 | H67 | 180.0° | 179.6° |
| C62 | C67 | C66 | H66 | 179.7° | 179.8° |
| C63 | C64 | C65 | H64 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.1° | 0.0° |
| C63 | C64 | C65 | H65 | 179.9° | 179.9° |
| H63 | C63 | C64 | C65 | 179.8° | 180.0° |
| H63 | C63 | C64 | H64 | 0.2° | 0.0° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | C67 | 0.4° | 0.3° |
| C64 | C65 | C66 | H66 | 179.7° | 180.0° |
| H64 | C64 | C65 | C66 | 179.9° | 179.9° |
| H64 | C64 | C65 | H65 | 0.1° | 0.0° |
| C65 | C66 | C67 | H66 | 180.0° | 179.7° |
| C65 | C66 | C67 | H67 | 179.7° | 179.9° |
| H65 | C65 | C66 | C67 | 179.6° | 179.9° |
| H65 | C65 | C66 | H66 | 0.4° | 0.1° |
| H66 | C66 | C67 | H67 | 0.3° | 0.2° |
| C70 | C71 | C72 | H71 | 179.9° | 179.8° |
| C70 | C71 | C72 | C73 | 178.7° | 179.8° |
| C70 | C71 | C72 | C77 | 0.2° | 0.5° |
| C71 | C70 | C79 | C78 | 1.4° | 0.3° |
| C71 | C70 | C79 | H79 | 178.6° | 179.7° |
| C79 | C70 | C71 | C72 | 1.1° | 0.5° |
| C79 | C70 | C71 | H71 | 179.0° | 179.7° |
| C70 | C79 | C78 | C77 | 0.8° | 0.1° |
| C70 | C79 | C78 | H79 | 180.0° | 180.0° |
| C70 | C79 | C78 | H78 | 179.1° | 180.0° |
| C71 | C72 | C73 | C77 | 178.5° | 179.8° |
| C71 | C72 | C73 | C74 | 177.7° | 179.8° |
| C71 | C72 | C73 | H73 | 2.3° | 0.3° |
| C71 | C72 | C77 | C76 | 178.4° | 179.8° |
| C71 | C72 | C77 | C78 | 0.4° | 0.3° |
| H71 | C71 | C72 | C73 | 1.4° | 0.0° |
| H71 | C71 | C72 | C77 | 179.9° | 179.7° |
| C72 | C73 | C74 | H73 | 180.0° | 179.9° |
| C72 | C73 | C74 | C75 | 0.9° | 0.0° |
| C72 | C73 | C74 | H74 | 179.2° | 180.0° |
| C73 | C72 | C77 | C76 | 0.0° | 0.0° |
| C73 | C72 | C77 | C78 | 178.1° | 180.0° |
| C77 | C72 | C73 | C74 | 0.8° | 0.0° |
| C77 | C72 | C73 | H73 | 179.2° | 179.9° |
| C72 | C77 | C76 | C75 | 0.6° | 0.0° |
| C72 | C77 | C76 | C78 | 178.1° | 180.0° |
| C72 | C77 | C76 | H76 | 179.3° | 180.0° |
| C72 | C77 | C78 | C79 | 0.0° | 0.1° |
| C72 | C77 | C78 | H78 | 180.0° | 180.0° |
| C73 | C74 | C75 | H74 | 180.0° | 179.9° |
| C73 | C74 | C75 | C76 | 0.2° | 0.0° |
| C73 | C74 | C75 | H75 | 179.7° | 180.0° |
| H73 | C73 | C74 | C75 | 179.1° | 179.9° |
| H73 | C73 | C74 | H74 | 0.8° | 0.0° |
| C74 | C75 | C76 | H75 | 180.0° | 180.0° |
| C74 | C75 | C76 | C77 | 0.6° | 0.0° |
| C74 | C75 | C76 | H76 | 179.4° | 180.0° |
| H74 | C74 | C75 | C76 | 179.8° | 180.0° |
| H74 | C74 | C75 | H75 | 0.2° | 0.1° |
| C75 | C76 | C77 | H76 | 180.0° | 180.0° |
| C75 | C76 | C77 | C78 | 177.4° | 180.0° |
| H75 | C75 | C76 | C77 | 179.5° | 180.0° |
| H75 | C75 | C76 | H76 | 0.6° | 0.0° |
| C76 | C77 | C78 | C79 | 178.0° | 180.0° |
| C76 | C77 | C78 | H78 | 2.0° | 0.1° |
| H76 | C76 | C77 | C78 | 2.6° | 0.0° |
| C77 | C78 | C79 | H78 | 180.0° | 179.9° |
| C77 | C78 | C79 | H79 | 179.2° | 180.0° |
| H78 | C78 | C79 | H79 | 0.8° | 0.1° |
