846
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.34Å | 1.36Å | |
| C1 | N7 | sing | 1.32Å | 1.36Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | C20 | sing | 1.51Å | 1.53Å | |
| C2 | N2 | sing | 1.46Å | 1.48Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C3 | C31 | sing | 1.53Å | 1.54Å | |
| C3 | N2 | sing | 1.46Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C61 | sing | 1.53Å | 1.55Å | |
| C6 | N7 | sing | 1.46Å | 1.47Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | C70 | sing | 1.53Å | 1.54Å | |
| C7 | N7 | sing | 1.46Å | 1.48Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.51Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | N26 | sing | 1.35Å | 1.35Å | |
| C26 | O26 | doub | 1.21Å | 1.22Å | |
| C27 | N26 | sing | 1.39Å | 1.49Å | |
| C27 | N27 | doub | 1.32Å | 1.36Å | Aromatic |
| C27 | S29 | sing | 1.74Å | 1.69Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.41Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.38Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | S29 | sing | 1.79Å | 1.68Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | 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 | 1.41Å | 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 | 1.11Å | |
| C62 | C63 | doub | 1.38Å | 1.42Å | Aromatic |
| C62 | C67 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | doub | 1.38Å | 1.41Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.38Å | 1.42Å | 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 | sing | 1.53Å | 1.54Å | |
| C70 | C72 | sing | 1.53Å | 1.53Å | |
| C70 | H70 | sing | 1.09Å | 1.11Å | |
| C71 | C72 | sing | 1.53Å | 1.54Å | |
| C71 | H711 | sing | 1.09Å | 1.12Å | |
| C71 | H712 | sing | 1.09Å | 1.12Å | |
| C72 | H721 | sing | 1.09Å | 1.12Å | |
| C72 | H722 | sing | 1.09Å | 1.11Å | |
| N26 | HN6 | sing | 0.97Å | 1.02Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N7 | 123.7° | 126.2° |
| N2 | C1 | O1 | 118.5° | 116.9° |
| C1 | N2 | C2 | 119.1° | 119.4° |
| C1 | N2 | C3 | 124.7° | 121.2° |
| N7 | C1 | O1 | 117.7° | 116.9° |
| C1 | N7 | C6 | 123.0° | 124.3° |
| C1 | N7 | C7 | 119.1° | 117.9° |
| C20 | C2 | N2 | 119.0° | 109.5° |
| C20 | C2 | H21A | 108.8° | 109.4° |
| C20 | C2 | H22 | 108.8° | 109.5° |
| C2 | C20 | C21 | 121.2° | 119.9° |
| C2 | C20 | C25 | 119.5° | 120.0° |
| N2 | C2 | H21A | 108.8° | 109.5° |
| N2 | C2 | H22 | 108.8° | 109.4° |
| C2 | N2 | C3 | 115.8° | 119.4° |
| H21A | C2 | H22 | 101.2° | 109.4° |
| C4 | C3 | C31 | 116.3° | 109.3° |
| C4 | C3 | N2 | 118.8° | 110.9° |
| C4 | C3 | H3 | 96.0° | 109.2° |
| C3 | C4 | C5 | 111.9° | 111.5° |
| C3 | C4 | O4 | 106.1° | 109.0° |
| C3 | C4 | H4 | 110.7° | 109.1° |
| C31 | C3 | N2 | 108.9° | 109.1° |
| C31 | C3 | H3 | 109.2° | 109.2° |
| C3 | C31 | C32 | 112.5° | 109.5° |
| C3 | C31 | H311 | 111.1° | 109.4° |
| C3 | C31 | H312 | 111.1° | 109.5° |
| N2 | C3 | H3 | 105.9° | 109.2° |
| C5 | C4 | O4 | 111.1° | 109.1° |
| C5 | C4 | H4 | 105.6° | 109.1° |
| C4 | C5 | C6 | 110.2° | 112.0° |
| C4 | C5 | O5 | 111.7° | 109.0° |
| C4 | C5 | H5 | 106.2° | 108.9° |
| O4 | C4 | H4 | 111.6° | 109.0° |
| C4 | O4 | HO4 | 106.1° | 106.8° |
| C6 | C5 | O5 | 105.1° | 109.0° |
| C6 | C5 | H5 | 112.6° | 109.0° |
| C5 | C6 | C61 | 115.7° | 109.0° |
| C5 | C6 | N7 | 116.7° | 110.8° |
| C5 | C6 | H6 | 99.0° | 109.4° |
| O5 | C5 | H5 | 111.1° | 108.9° |
| C5 | O5 | HO5 | 111.7° | 106.7° |
| C61 | C6 | N7 | 109.5° | 109.3° |
| C61 | C6 | H6 | 108.0° | 109.2° |
| C6 | C61 | C62 | 113.1° | 109.5° |
| C6 | C61 | H611 | 110.9° | 109.4° |
| C6 | C61 | H612 | 110.9° | 109.5° |
| N7 | C6 | H6 | 106.8° | 109.2° |
| C6 | N7 | C7 | 117.1° | 117.8° |
| C70 | C7 | N7 | 110.6° | 109.5° |
| C70 | C7 | H71 | 111.8° | 109.5° |
| C70 | C7 | H72 | 111.7° | 109.5° |
| C7 | C70 | C71 | 114.3° | 117.5° |
| C7 | C70 | C72 | 112.7° | 117.5° |
| C7 | C70 | H70 | 97.5° | 115.5° |
| N7 | C7 | H71 | 111.8° | 109.5° |
| N7 | C7 | H72 | 111.8° | 109.5° |
| H71 | C7 | H72 | 98.6° | 109.4° |
| C21 | C20 | C25 | 119.3° | 120.1° |
| C20 | C21 | C22 | 120.0° | 119.9° |
| C20 | C21 | H21 | 120.2° | 120.0° |
| C20 | C25 | C24 | 120.9° | 120.3° |
| C20 | C25 | H25 | 119.7° | 119.8° |
| C22 | C21 | H21 | 119.8° | 120.1° |
| C21 | C22 | C23 | 119.2° | 119.7° |
| C21 | C22 | C26 | 123.5° | 120.1° |
| C23 | C22 | C26 | 117.3° | 120.2° |
| C22 | C23 | C24 | 121.2° | 119.8° |
| C22 | C23 | H23 | 119.5° | 120.1° |
| C22 | C26 | N26 | 116.2° | 120.0° |
| C22 | C26 | O26 | 122.3° | 120.0° |
| C24 | C23 | H23 | 119.3° | 120.1° |
| C23 | C24 | C25 | 119.4° | 120.1° |
| C23 | C24 | H24 | 120.4° | 119.9° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C24 | C25 | H25 | 119.4° | 119.9° |
| N26 | C26 | O26 | 121.5° | 120.0° |
| C26 | N26 | C27 | 126.8° | 120.0° |
| C26 | N26 | HN6 | 110.9° | 120.0° |
| N26 | C27 | N27 | 124.7° | 128.9° |
| N26 | C27 | S29 | 127.4° | 128.9° |
| C27 | N26 | HN6 | 122.3° | 120.0° |
| N27 | C27 | S29 | 107.9° | 102.2° |
| C27 | N27 | C28 | 113.9° | 121.2° |
| C27 | S29 | C29 | 97.7° | 97.5° |
| C29 | C28 | N27 | 115.6° | 118.5° |
| C29 | C28 | H28 | 123.0° | 120.8° |
| C28 | C29 | S29 | 105.0° | 100.7° |
| C28 | C29 | H29 | 120.9° | 129.7° |
| N27 | C28 | H28 | 121.4° | 120.7° |
| S29 | C29 | H29 | 134.1° | 129.6° |
| C32 | C31 | H311 | 111.1° | 109.5° |
| C32 | C31 | H312 | 111.1° | 109.5° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C31 | C32 | C37 | 119.2° | 120.0° |
| H311 | C31 | H312 | 99.2° | 109.5° |
| C33 | C32 | C37 | 120.5° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.1° |
| C32 | C33 | H33 | 120.1° | 120.0° |
| C32 | C37 | C36 | 119.9° | 120.0° |
| C32 | C37 | H37 | 120.3° | 120.0° |
| C34 | C33 | H33 | 120.4° | 120.0° |
| C33 | C34 | C35 | 119.9° | 119.9° |
| C33 | C34 | H34 | 120.1° | 120.1° |
| C35 | C34 | H34 | 120.0° | 120.0° |
| C34 | C35 | C36 | 120.5° | 120.1° |
| C34 | C35 | H35 | 119.8° | 120.0° |
| C36 | C35 | H35 | 119.7° | 120.0° |
| C35 | C36 | C37 | 119.7° | 120.0° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C37 | C36 | H36 | 120.1° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C62 | C61 | H611 | 110.9° | 109.5° |
| C62 | C61 | H612 | 110.8° | 109.5° |
| C61 | C62 | C63 | 119.2° | 120.0° |
| C61 | C62 | C67 | 120.1° | 120.0° |
| H611 | C61 | H612 | 99.5° | 109.5° |
| C63 | C62 | C67 | 120.6° | 120.0° |
| C62 | C63 | C64 | 120.1° | 120.0° |
| C62 | C63 | H63 | 120.4° | 120.0° |
| C62 | C67 | C66 | 119.1° | 120.0° |
| C62 | C67 | H67 | 120.3° | 120.0° |
| C64 | C63 | H63 | 119.5° | 120.0° |
| C63 | C64 | C65 | 119.7° | 120.0° |
| C63 | C64 | H64 | 120.1° | 120.0° |
| C65 | C64 | H64 | 120.3° | 120.0° |
| C64 | C65 | C66 | 120.2° | 120.0° |
| C64 | C65 | H65 | 119.7° | 120.0° |
| C66 | C65 | H65 | 120.1° | 120.0° |
| C65 | C66 | C67 | 120.4° | 120.0° |
| C65 | C66 | H66 | 119.9° | 120.0° |
| C67 | C66 | H66 | 119.8° | 120.0° |
| C66 | C67 | H67 | 120.6° | 120.0° |
| C71 | C70 | C72 | 60.3° | 60.0° |
| C71 | C70 | H70 | 134.4° | 117.5° |
| C70 | C71 | C72 | 59.7° | 60.0° |
| C70 | C71 | H711 | 135.2° | 117.5° |
| C70 | C71 | H712 | 135.2° | 117.5° |
| C72 | C70 | H70 | 135.8° | 117.5° |
| C70 | C72 | C71 | 60.0° | 60.0° |
| C70 | C72 | H721 | 135.0° | 117.5° |
| C70 | C72 | H722 | 135.0° | 117.6° |
| C72 | C71 | H711 | 135.2° | 117.5° |
| C72 | C71 | H712 | 135.2° | 117.5° |
| C71 | C72 | H721 | 135.0° | 117.5° |
| C71 | C72 | H722 | 134.9° | 117.5° |
| H711 | C71 | H712 | 70.2° | 115.5° |
| H721 | C72 | H722 | 70.6° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N7 | O1 | 179.0° | 179.9° |
| C1 | N2 | C2 | C20 | 132.3° | 84.0° |
| C1 | N2 | C2 | C3 | 172.6° | 179.9° |
| C1 | N2 | C2 | H21A | 7.1° | 36.0° |
| C1 | N2 | C2 | H22 | 102.4° | 155.9° |
| C1 | N2 | C3 | C4 | 58.2° | 78.7° |
| C1 | N2 | C3 | C31 | 78.2° | 160.9° |
| C1 | N2 | C3 | H3 | 164.5° | 41.7° |
| N2 | C1 | N7 | C6 | 40.6° | 7.7° |
| N2 | C1 | N7 | C7 | 149.9° | 172.4° |
| N7 | C1 | N2 | C2 | 175.4° | 162.4° |
| N7 | C1 | N2 | C3 | 12.7° | 17.5° |
| C1 | N7 | C6 | C5 | 72.6° | 43.4° |
| C1 | N7 | C6 | C61 | 61.2° | 76.7° |
| C1 | N7 | C6 | C7 | 169.7° | 179.9° |
| C1 | N7 | C6 | H6 | 177.9° | 163.9° |
| C1 | N7 | C7 | C70 | 150.5° | 89.9° |
| C1 | N7 | C7 | H71 | 25.3° | 150.0° |
| C1 | N7 | C7 | H72 | 84.2° | 30.0° |
| O1 | C1 | N2 | C2 | 5.6° | 17.7° |
| O1 | C1 | N2 | C3 | 166.2° | 162.4° |
| O1 | C1 | N7 | C6 | 140.5° | 172.4° |
| O1 | C1 | N7 | C7 | 29.0° | 7.5° |
| C20 | C2 | N2 | H21A | 125.3° | 119.9° |
| C20 | C2 | N2 | H22 | 125.3° | 120.1° |
| C20 | C2 | H21A | H22 | 114.5° | 120.0° |
| C20 | C2 | N2 | C3 | 55.1° | 95.9° |
| C2 | C20 | C21 | C25 | 178.1° | 179.8° |
| C2 | C20 | C21 | C22 | 177.6° | 179.7° |
| C2 | C20 | C21 | H21 | 2.4° | 0.2° |
| C2 | C20 | C25 | C24 | 178.3° | 180.0° |
| C2 | C20 | C25 | H25 | 1.7° | 0.0° |
| N2 | C2 | H21A | H22 | 114.4° | 120.0° |
| C2 | N2 | C3 | C4 | 129.7° | 101.2° |
| C2 | N2 | C3 | C31 | 93.9° | 19.2° |
| C2 | N2 | C3 | H3 | 23.4° | 138.4° |
| N2 | C2 | C20 | C21 | 130.0° | 96.9° |
| N2 | C2 | C20 | C25 | 51.9° | 83.3° |
| H21A | C2 | N2 | C3 | 179.6° | 144.1° |
| H21A | C2 | C20 | C21 | 104.7° | 143.1° |
| H21A | C2 | C20 | C25 | 73.4° | 36.7° |
| H22 | C2 | N2 | C3 | 70.2° | 24.2° |
| H22 | C2 | C20 | C21 | 4.7° | 23.1° |
| H22 | C2 | C20 | C25 | 177.1° | 156.7° |
| C4 | C3 | C31 | N2 | 137.6° | 121.3° |
| C4 | C3 | C31 | H3 | 107.2° | 119.4° |
| C4 | C3 | N2 | H3 | 106.3° | 120.4° |
| C3 | C4 | C5 | O4 | 118.3° | 120.5° |
| C3 | C4 | C5 | H4 | 120.5° | 120.5° |
| C3 | C4 | O4 | H4 | 120.6° | 119.0° |
| C3 | C4 | C5 | C6 | 69.3° | 31.0° |
| C3 | C4 | C5 | O5 | 174.2° | 151.6° |
| C3 | C4 | C5 | H5 | 52.9° | 89.7° |
| C4 | C3 | C31 | C32 | 143.4° | 65.5° |
| C4 | C3 | C31 | H311 | 18.1° | 54.5° |
| C4 | C3 | C31 | H312 | 91.4° | 174.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 178.0° |
| C31 | C3 | N2 | H3 | 117.3° | 119.3° |
| C31 | C3 | C4 | C5 | 60.8° | 173.8° |
| C31 | C3 | C4 | O4 | 60.5° | 53.3° |
| C31 | C3 | C4 | H4 | 178.3° | 65.7° |
| C3 | C31 | C32 | H311 | 125.3° | 120.0° |
| C3 | C31 | C32 | H312 | 125.2° | 120.0° |
| C3 | C31 | H311 | H312 | 117.0° | 120.0° |
| C3 | C31 | C32 | C33 | 114.3° | 95.2° |
| C3 | C31 | C32 | C37 | 65.6° | 85.0° |
| N2 | C3 | C4 | C5 | 72.5° | 53.6° |
| N2 | C3 | C4 | O4 | 166.2° | 67.0° |
| N2 | C3 | C4 | H4 | 45.1° | 174.1° |
| N2 | C3 | C31 | C32 | 79.0° | 173.1° |
| N2 | C3 | C31 | H311 | 155.7° | 66.8° |
| N2 | C3 | C31 | H312 | 46.2° | 53.1° |
| H3 | C3 | C4 | C5 | 175.7° | 66.8° |
| H3 | C3 | C4 | O4 | 54.4° | 172.6° |
| H3 | C3 | C4 | H4 | 66.8° | 53.7° |
| H3 | C3 | C31 | C32 | 36.1° | 53.9° |
| H3 | C3 | C31 | H311 | 89.2° | 173.9° |
| H3 | C3 | C31 | H312 | 161.4° | 66.1° |
| C5 | C4 | O4 | H4 | 117.6° | 119.0° |
| C4 | C5 | C6 | O5 | 120.5° | 120.6° |
| C4 | C5 | C6 | H5 | 118.3° | 120.6° |
| C4 | C5 | O5 | H5 | 118.4° | 118.7° |
| C4 | C5 | C6 | C61 | 58.4° | 34.9° |
| C4 | C5 | C6 | N7 | 72.6° | 85.4° |
| C4 | C5 | C6 | H6 | 173.4° | 154.2° |
| C5 | C4 | O4 | HO4 | 58.1° | 60.0° |
| C4 | C5 | O5 | HO5 | 179.9° | 58.7° |
| O4 | C4 | C5 | C6 | 172.4° | 151.4° |
| O4 | C4 | C5 | O5 | 55.9° | 87.9° |
| O4 | C4 | C5 | H5 | 65.4° | 30.7° |
| H4 | C4 | C5 | C6 | 51.3° | 89.6° |
| H4 | C4 | C5 | O5 | 65.2° | 31.1° |
| H4 | C4 | C5 | H5 | 173.5° | 149.8° |
| H4 | C4 | O4 | HO4 | 59.4° | 59.1° |
| C6 | C5 | O5 | H5 | 122.1° | 118.8° |
| C5 | C6 | C61 | N7 | 134.3° | 121.2° |
| C5 | C6 | C61 | H6 | 109.8° | 119.4° |
| C5 | C6 | N7 | H6 | 109.5° | 120.5° |
| C5 | C6 | N7 | C7 | 117.7° | 136.6° |
| C5 | C6 | C61 | C62 | 159.6° | 120.5° |
| C5 | C6 | C61 | H611 | 34.4° | 0.5° |
| C5 | C6 | C61 | H612 | 75.2° | 119.5° |
| C6 | C5 | O5 | HO5 | 60.4° | 178.8° |
| O5 | C5 | C6 | C61 | 62.2° | 85.8° |
| O5 | C5 | C6 | N7 | 166.8° | 154.0° |
| O5 | C5 | C6 | H6 | 52.9° | 33.6° |
| H5 | C5 | C6 | C61 | 176.7° | 155.5° |
| H5 | C5 | C6 | N7 | 45.7° | 35.3° |
| H5 | C5 | C6 | H6 | 68.3° | 85.1° |
| H5 | C5 | O5 | HO5 | 61.7° | 60.0° |
| C61 | C6 | N7 | H6 | 116.7° | 119.4° |
| C61 | C6 | N7 | C7 | 108.5° | 103.4° |
| C6 | C61 | C62 | H611 | 125.3° | 119.9° |
| C6 | C61 | C62 | H612 | 125.2° | 120.1° |
| C6 | C61 | H611 | H612 | 116.8° | 120.0° |
| C6 | C61 | C62 | C63 | 75.6° | 89.9° |
| C6 | C61 | C62 | C67 | 102.1° | 90.3° |
| C6 | N7 | C7 | C70 | 39.4° | 90.0° |
| C6 | N7 | C7 | H71 | 164.6° | 30.1° |
| C6 | N7 | C7 | H72 | 85.9° | 150.0° |
| N7 | C6 | C61 | C62 | 66.1° | 118.3° |
| N7 | C6 | C61 | H611 | 168.7° | 121.7° |
| N7 | C6 | C61 | H612 | 59.1° | 1.7° |
| H6 | C6 | N7 | C7 | 8.2° | 16.0° |
| H6 | C6 | C61 | C62 | 49.8° | 1.1° |
| H6 | C6 | C61 | H611 | 75.4° | 118.9° |
| H6 | C6 | C61 | H612 | 175.0° | 121.1° |
| C70 | C7 | N7 | H71 | 125.3° | 120.1° |
| C70 | C7 | N7 | H72 | 125.2° | 120.0° |
| C70 | C7 | H71 | H72 | 117.6° | 120.0° |
| C7 | C70 | C71 | C72 | 103.3° | 107.5° |
| C7 | C70 | C71 | H70 | 130.0° | 144.9° |
| C7 | C70 | C72 | H70 | 129.3° | 145.0° |
| C7 | C70 | C71 | H711 | 131.4° | 145.0° |
| C7 | C70 | C71 | H712 | 21.9° | 0.0° |
| C7 | C70 | C72 | H721 | 19.3° | 0.0° |
| C7 | C70 | C72 | H722 | 128.8° | 145.0° |
| N7 | C7 | H71 | H72 | 117.7° | 120.0° |
| N7 | C7 | C70 | C71 | 171.4° | 180.0° |
| N7 | C7 | C70 | C72 | 105.0° | 111.3° |
| N7 | C7 | C70 | H70 | 42.1° | 34.4° |
| H71 | C7 | C70 | C71 | 46.1° | 59.9° |
| H71 | C7 | C70 | C72 | 20.3° | 128.6° |
| H71 | C7 | C70 | H70 | 167.4° | 85.7° |
| H72 | C7 | C70 | C71 | 63.3° | 60.0° |
| H72 | C7 | C70 | C72 | 129.7° | 8.6° |
| H72 | C7 | C70 | H70 | 83.2° | 154.4° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C20 | C21 | C22 | C23 | 1.0° | 0.5° |
| C20 | C21 | C22 | C26 | 175.7° | 179.7° |
| C21 | C20 | C25 | C24 | 0.1° | 0.2° |
| C21 | C20 | C25 | H25 | 179.9° | 179.8° |
| C25 | C20 | C21 | C22 | 0.5° | 0.5° |
| C25 | C20 | C21 | H21 | 179.5° | 180.0° |
| C20 | C25 | C24 | C23 | 0.2° | 0.0° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C20 | C25 | C24 | H24 | 179.8° | 180.0° |
| C21 | C22 | C23 | C26 | 176.9° | 179.8° |
| C21 | C22 | C23 | C24 | 0.8° | 0.3° |
| C21 | C22 | C23 | H23 | 179.2° | 179.7° |
| C21 | C22 | C26 | N26 | 32.9° | 179.7° |
| C21 | C22 | C26 | O26 | 149.9° | 0.2° |
| H21 | C21 | C22 | C23 | 179.0° | 179.9° |
| H21 | C21 | C22 | C26 | 4.3° | 0.2° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 179.7° | 180.0° |
| C23 | C22 | C26 | N26 | 143.9° | 0.1° |
| C23 | C22 | C26 | O26 | 33.3° | 180.0° |
| C26 | C22 | C23 | C24 | 176.0° | 179.9° |
| C26 | C22 | C23 | H23 | 3.9° | 0.1° |
| C22 | C26 | N26 | O26 | 177.2° | 179.9° |
| C22 | C26 | N26 | C27 | 172.0° | 180.0° |
| C22 | C26 | N26 | HN6 | 8.0° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | H25 | 179.7° | 180.0° |
| H23 | C23 | C24 | C25 | 179.8° | 180.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| C26 | N26 | C27 | HN6 | 180.0° | 179.9° |
| C26 | N26 | C27 | N27 | 170.6° | 0.4° |
| C26 | N26 | C27 | S29 | 9.0° | 179.9° |
| O26 | C26 | N26 | C27 | 5.3° | 0.1° |
| O26 | C26 | N26 | HN6 | 174.8° | 180.0° |
| N26 | C27 | N27 | S29 | 179.6° | 179.7° |
| N26 | C27 | N27 | C28 | 179.8° | 179.8° |
| N26 | C27 | S29 | C29 | 179.8° | 180.0° |
| C27 | N27 | C28 | C29 | 0.1° | 0.6° |
| C27 | N27 | C28 | H28 | 180.0° | 179.7° |
| N27 | C27 | S29 | C29 | 0.2° | 0.3° |
| N27 | C27 | N26 | HN6 | 9.4° | 179.7° |
| C27 | S29 | C29 | C28 | 0.1° | 0.0° |
| S29 | C27 | N27 | C28 | 0.2° | 0.5° |
| C27 | S29 | C29 | H29 | 179.9° | 180.0° |
| S29 | C27 | N26 | HN6 | 171.1° | 0.0° |
| C29 | C28 | N27 | H28 | 180.0° | 179.7° |
| C28 | C29 | S29 | H29 | 180.0° | 180.0° |
| N27 | C28 | C29 | S29 | 0.1° | 0.3° |
| N27 | C28 | C29 | H29 | 180.0° | 179.7° |
| H28 | C28 | C29 | S29 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.0° |
| C32 | C31 | H311 | H312 | 117.0° | 120.0° |
| C31 | C32 | C33 | C37 | 179.9° | 179.8° |
| C31 | C32 | C33 | C34 | 179.4° | 180.0° |
| C31 | C32 | C33 | H33 | 0.6° | 0.0° |
| C31 | C32 | C37 | C36 | 179.4° | 179.8° |
| C31 | C32 | C37 | H37 | 0.6° | 0.2° |
| H311 | C31 | C32 | C33 | 120.4° | 24.8° |
| H311 | C31 | C32 | C37 | 59.7° | 155.0° |
| H312 | C31 | C32 | C33 | 10.9° | 144.8° |
| H312 | C31 | C32 | C37 | 169.2° | 35.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.2° | 0.1° |
| C32 | C33 | C34 | H34 | 179.8° | 180.0° |
| C33 | C32 | C37 | C36 | 0.4° | 0.4° |
| C33 | C32 | C37 | H37 | 179.5° | 180.0° |
| C37 | C32 | C33 | C34 | 0.4° | 0.2° |
| C37 | C32 | C33 | H33 | 179.6° | 179.8° |
| C32 | C37 | C36 | C35 | 0.1° | 0.4° |
| C32 | C37 | C36 | H37 | 180.0° | 179.6° |
| C32 | C37 | C36 | H36 | 179.9° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.1° |
| C33 | C34 | C35 | H35 | 179.8° | 179.9° |
| H33 | C33 | C34 | C35 | 179.8° | 180.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| H34 | C34 | C35 | C36 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.2° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | H37 | 179.8° | 180.0° |
| H35 | C35 | C36 | C37 | 179.8° | 179.8° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.1° |
| C62 | C61 | H611 | H612 | 116.7° | 120.0° |
| C61 | C62 | C63 | C67 | 177.7° | 179.8° |
| C61 | C62 | C63 | C64 | 177.0° | 180.0° |
| C61 | C62 | C63 | H63 | 3.0° | 0.0° |
| C61 | C62 | C67 | C66 | 176.9° | 179.8° |
| C61 | C62 | C67 | H67 | 3.1° | 0.2° |
| H611 | C61 | C62 | C63 | 49.7° | 30.0° |
| H611 | C61 | C62 | C67 | 132.7° | 149.8° |
| H612 | C61 | C62 | C63 | 159.2° | 150.0° |
| H612 | C61 | C62 | C67 | 23.2° | 29.7° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.3° | 0.0° |
| C62 | C63 | C64 | H64 | 179.7° | 180.0° |
| C63 | C62 | C67 | C66 | 0.7° | 0.4° |
| C63 | C62 | C67 | H67 | 179.3° | 180.0° |
| C67 | C62 | C63 | C64 | 0.7° | 0.2° |
| C67 | C62 | C63 | H63 | 179.3° | 179.8° |
| C62 | C67 | C66 | C65 | 0.3° | 0.4° |
| C62 | C67 | C66 | H67 | 180.0° | 179.6° |
| C62 | C67 | C66 | H66 | 179.7° | 179.7° |
| C63 | C64 | C65 | H64 | 180.0° | 179.9° |
| C63 | C64 | C65 | C66 | 0.1° | 0.1° |
| C63 | C64 | C65 | H65 | 179.9° | 179.9° |
| H63 | C63 | C64 | C65 | 179.7° | 180.0° |
| H63 | C63 | C64 | H64 | 0.3° | 0.0° |
| C64 | C65 | C66 | H65 | 180.0° | 180.0° |
| C64 | C65 | C66 | C67 | 0.1° | 0.1° |
| C64 | C65 | C66 | H66 | 179.9° | 179.9° |
| H64 | C64 | C65 | C66 | 179.9° | 180.0° |
| H64 | C64 | C65 | H65 | 0.1° | 0.0° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | H67 | 179.7° | 180.0° |
| H65 | C65 | C66 | C67 | 179.9° | 179.9° |
| H65 | C65 | C66 | H66 | 0.1° | 0.1° |
| H66 | C66 | C67 | H67 | 0.3° | 0.1° |
| C71 | C70 | C72 | H70 | 124.7° | 107.5° |
| C70 | C71 | C72 | H711 | 125.3° | 107.5° |
| C70 | C71 | C72 | H712 | 125.3° | 107.5° |
| C70 | C71 | H711 | H712 | 135.1° | 145.7° |
| C71 | C70 | C72 | H721 | 125.2° | 107.5° |
| C71 | C70 | C72 | H722 | 125.2° | 107.5° |
| C70 | C72 | H721 | H722 | 135.1° | 145.8° |
| H70 | C70 | C71 | H711 | 1.4° | 0.1° |
| H70 | C70 | C71 | H712 | 108.1° | 144.9° |
| H70 | C70 | C72 | H721 | 110.1° | 145.0° |
| H70 | C70 | C72 | H722 | 0.5° | 0.0° |
| C72 | C71 | H711 | H712 | 135.0° | 145.7° |
| C71 | C72 | H721 | H722 | 134.9° | 145.6° |
| H711 | C71 | C72 | H721 | 109.4° | 145.0° |
| H711 | C71 | C72 | H722 | 0.0° | 0.1° |
| H712 | C71 | C72 | H721 | 0.0° | 0.1° |
| H712 | C71 | C72 | H722 | 109.4° | 145.0° |
