XV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| O4 | HO41 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.40Å | |
| O5 | HO51 | sing | 0.97Å | 0.95Å | |
| N2 | C1 | sing | 1.32Å | 1.35Å | |
| N2 | C2 | sing | 1.46Å | 1.47Å | |
| N2 | C3 | sing | 1.46Å | 1.47Å | |
| N7 | C1 | sing | 1.34Å | 1.35Å | |
| N7 | C6 | sing | 1.46Å | 1.49Å | |
| N7 | C7 | sing | 1.46Å | 1.47Å | |
| C2 | C20 | sing | 1.51Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | C31 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.52Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C6 | C61 | sing | 1.53Å | 1.56Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C7 | C70 | sing | 1.51Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H351 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.10Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.11Å | |
| C62 | C63 | doub | 1.38Å | 1.41Å | Aromatic |
| C62 | C67 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | H631 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | H641 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.38Å | 1.40Å | Aromatic |
| C65 | H651 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | doub | 1.38Å | 1.41Å | Aromatic |
| C66 | H661 | sing | 1.08Å | 1.10Å | |
| C67 | H671 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.49Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C26 | O26 | doub | 1.22Å | 1.22Å | |
| C26 | N26 | sing | 1.35Å | 1.34Å | |
| N26 | C27 | sing | 1.39Å | 1.46Å | |
| N26 | HN26 | sing | 0.97Å | 1.02Å | |
| N27 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C28 | sing | 1.32Å | 1.37Å | Aromatic |
| C27 | S29 | sing | 1.74Å | 1.68Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.41Å | Aromatic |
| C28 | H281 | sing | 1.08Å | 1.10Å | |
| S29 | C29 | sing | 1.79Å | 1.69Å | Aromatic |
| C29 | H291 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C70 | C75 | sing | 1.38Å | 1.42Å | Aromatic |
| C71 | C72 | sing | 1.40Å | 1.41Å | Aromatic |
| C71 | H711 | sing | 1.08Å | 1.10Å | |
| C72 | C73 | doub | 1.39Å | 1.42Å | Aromatic |
| C72 | C76 | sing | 1.48Å | 1.49Å | |
| C73 | C74 | sing | 1.38Å | 1.41Å | Aromatic |
| C73 | H731 | sing | 1.08Å | 1.10Å | |
| C74 | C75 | doub | 1.38Å | 1.41Å | Aromatic |
| C74 | H741 | sing | 1.08Å | 1.10Å | |
| C75 | H751 | sing | 1.08Å | 1.10Å | |
| C76 | O76 | doub | 1.22Å | 1.22Å | |
| C76 | N76 | sing | 1.35Å | 1.34Å | |
| N76 | C77 | sing | 1.39Å | 1.46Å | |
| N76 | HN76 | sing | 0.97Å | 1.02Å | |
| N77 | C77 | doub | 1.32Å | 1.34Å | Aromatic |
| N77 | C78 | sing | 1.32Å | 1.37Å | Aromatic |
| C77 | S79 | sing | 1.74Å | 1.69Å | Aromatic |
| C78 | C79 | doub | 1.36Å | 1.41Å | Aromatic |
| C78 | H781 | sing | 1.08Å | 1.10Å | |
| S79 | C79 | sing | 1.79Å | 1.68Å | Aromatic |
| C79 | H791 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 118.4° | 116.9° |
| O1 | C1 | N7 | 117.6° | 116.9° |
| C4 | O4 | HO41 | 108.8° | 106.8° |
| O4 | C4 | C3 | 108.8° | 108.9° |
| O4 | C4 | C5 | 110.5° | 109.0° |
| O4 | C4 | H41 | 110.0° | 108.9° |
| C5 | O5 | HO51 | 111.7° | 106.8° |
| O5 | C5 | C4 | 111.7° | 109.0° |
| O5 | C5 | C6 | 105.0° | 109.0° |
| O5 | C5 | H51 | 111.0° | 109.1° |
| C1 | N2 | C2 | 116.7° | 117.9° |
| C1 | N2 | C3 | 125.3° | 124.3° |
| N2 | C1 | N7 | 123.9° | 126.2° |
| C2 | N2 | C3 | 117.6° | 117.8° |
| N2 | C2 | C20 | 117.3° | 109.4° |
| N2 | C2 | H21 | 109.4° | 109.5° |
| N2 | C2 | H22 | 109.4° | 109.5° |
| N2 | C3 | C4 | 117.3° | 110.8° |
| N2 | C3 | C31 | 106.4° | 109.3° |
| N2 | C3 | H31 | 110.1° | 109.2° |
| C1 | N7 | C6 | 125.0° | 121.2° |
| C1 | N7 | C7 | 115.8° | 119.4° |
| C6 | N7 | C7 | 118.3° | 119.4° |
| N7 | C6 | C5 | 116.7° | 110.8° |
| N7 | C6 | C61 | 111.6° | 109.1° |
| N7 | C6 | H61 | 104.1° | 109.3° |
| N7 | C7 | C70 | 116.2° | 109.5° |
| N7 | C7 | H71 | 109.8° | 109.6° |
| N7 | C7 | H72 | 109.8° | 109.4° |
| C20 | C2 | H21 | 109.4° | 109.5° |
| C20 | C2 | H22 | 109.4° | 109.4° |
| C2 | C20 | C21 | 118.5° | 120.0° |
| C2 | C20 | C25 | 121.9° | 119.9° |
| H21 | C2 | H22 | 100.8° | 109.4° |
| C4 | C3 | C31 | 118.4° | 108.8° |
| C4 | C3 | H31 | 95.1° | 109.4° |
| C3 | C4 | C5 | 111.5° | 112.1° |
| C3 | C4 | H41 | 108.9° | 108.9° |
| C31 | C3 | H31 | 108.8° | 109.2° |
| C3 | C31 | C32 | 111.3° | 109.5° |
| C3 | C31 | H311 | 111.5° | 109.5° |
| C3 | C31 | H312 | 111.5° | 109.4° |
| C5 | C4 | H41 | 107.1° | 109.0° |
| C4 | C5 | C6 | 109.4° | 111.5° |
| C4 | C5 | H51 | 106.7° | 109.1° |
| C6 | C5 | H51 | 113.2° | 109.1° |
| C5 | C6 | C61 | 113.8° | 109.2° |
| C5 | C6 | H61 | 101.3° | 109.2° |
| C61 | C6 | H61 | 107.8° | 109.2° |
| C6 | C61 | C62 | 116.1° | 109.5° |
| C6 | C61 | H611 | 109.8° | 109.5° |
| C6 | C61 | H612 | 109.8° | 109.5° |
| C70 | C7 | H71 | 109.7° | 109.5° |
| C70 | C7 | H72 | 109.7° | 109.4° |
| C7 | C70 | C71 | 117.6° | 119.9° |
| C7 | C70 | C75 | 122.5° | 119.9° |
| H71 | C7 | H72 | 100.4° | 109.4° |
| C32 | C31 | H311 | 111.6° | 109.5° |
| C32 | C31 | H312 | 111.5° | 109.5° |
| C31 | C32 | C33 | 120.3° | 120.0° |
| C31 | C32 | C37 | 119.8° | 120.0° |
| H311 | C31 | H312 | 98.8° | 109.4° |
| C33 | C32 | C37 | 119.9° | 120.0° |
| C32 | C33 | C34 | 120.2° | 120.0° |
| C32 | C33 | H331 | 120.3° | 120.0° |
| C32 | C37 | C36 | 119.7° | 120.0° |
| C32 | C37 | H371 | 120.5° | 120.0° |
| C34 | C33 | H331 | 119.5° | 120.0° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C33 | C34 | H341 | 120.2° | 120.0° |
| C35 | C34 | H341 | 120.2° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H351 | 119.3° | 120.0° |
| C36 | C35 | H351 | 120.0° | 120.0° |
| C35 | C36 | C37 | 119.8° | 120.0° |
| C35 | C36 | H361 | 120.3° | 120.0° |
| C37 | C36 | H361 | 119.9° | 120.0° |
| C36 | C37 | H371 | 119.7° | 120.0° |
| C62 | C61 | H611 | 109.8° | 109.5° |
| C62 | C61 | H612 | 109.8° | 109.5° |
| C61 | C62 | C63 | 120.0° | 120.0° |
| C61 | C62 | C67 | 120.1° | 120.0° |
| H611 | C61 | H612 | 100.4° | 109.5° |
| C63 | C62 | C67 | 119.9° | 120.0° |
| C62 | C63 | C64 | 120.5° | 120.1° |
| C62 | C63 | H631 | 119.8° | 119.9° |
| C62 | C67 | C66 | 119.5° | 120.0° |
| C62 | C67 | H671 | 120.5° | 120.0° |
| C64 | C63 | H631 | 119.7° | 120.0° |
| C63 | C64 | C65 | 119.5° | 120.0° |
| C63 | C64 | H641 | 120.4° | 120.0° |
| C65 | C64 | H641 | 120.1° | 120.0° |
| C64 | C65 | C66 | 120.4° | 120.0° |
| C64 | C65 | H651 | 119.8° | 120.0° |
| C66 | C65 | H651 | 119.8° | 120.0° |
| C65 | C66 | C67 | 120.3° | 120.0° |
| C65 | C66 | H661 | 119.7° | 120.0° |
| C67 | C66 | H661 | 120.0° | 120.0° |
| C66 | C67 | H671 | 120.0° | 120.0° |
| C21 | C20 | C25 | 119.6° | 120.1° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | H211 | 119.7° | 120.1° |
| C20 | C25 | C24 | 120.4° | 120.3° |
| C20 | C25 | H251 | 120.1° | 119.9° |
| C22 | C21 | H211 | 120.4° | 120.1° |
| C21 | C22 | C23 | 120.4° | 119.7° |
| C21 | C22 | C26 | 120.2° | 120.2° |
| C23 | C22 | C26 | 119.4° | 120.1° |
| C22 | C23 | C24 | 119.7° | 119.9° |
| C22 | C23 | H231 | 120.3° | 120.1° |
| C22 | C26 | O26 | 124.5° | 120.0° |
| C22 | C26 | N26 | 112.1° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.1° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C25 | C24 | H241 | 120.1° | 119.9° |
| C24 | C25 | H251 | 119.5° | 119.8° |
| O26 | C26 | N26 | 123.4° | 120.0° |
| C26 | N26 | C27 | 124.6° | 120.1° |
| C26 | N26 | HN26 | 112.8° | 120.0° |
| C27 | N26 | HN26 | 122.5° | 119.9° |
| N26 | C27 | N27 | 125.1° | 128.9° |
| N26 | C27 | S29 | 124.4° | 129.0° |
| C27 | N27 | C28 | 112.5° | 121.2° |
| N27 | C27 | S29 | 110.5° | 102.1° |
| N27 | C28 | C29 | 115.5° | 118.4° |
| N27 | C28 | H281 | 121.0° | 120.8° |
| C27 | S29 | C29 | 95.6° | 97.5° |
| C29 | C28 | H281 | 123.5° | 120.8° |
| C28 | C29 | S29 | 105.9° | 100.7° |
| C28 | C29 | H291 | 120.2° | 129.6° |
| S29 | C29 | H291 | 133.9° | 129.6° |
| C71 | C70 | C75 | 119.9° | 120.2° |
| C70 | C71 | C72 | 119.7° | 119.8° |
| C70 | C71 | H711 | 119.4° | 120.1° |
| C70 | C75 | C74 | 120.8° | 120.3° |
| C70 | C75 | H751 | 119.9° | 119.9° |
| C72 | C71 | H711 | 120.9° | 120.1° |
| C71 | C72 | C73 | 120.8° | 119.7° |
| C71 | C72 | C76 | 119.3° | 120.1° |
| C73 | C72 | C76 | 119.9° | 120.2° |
| C72 | C73 | C74 | 119.4° | 119.9° |
| C72 | C73 | H731 | 120.7° | 120.1° |
| C72 | C76 | O76 | 123.2° | 120.0° |
| C72 | C76 | N76 | 114.6° | 120.0° |
| C74 | C73 | H731 | 119.9° | 120.0° |
| C73 | C74 | C75 | 119.4° | 120.1° |
| C73 | C74 | H741 | 120.2° | 120.0° |
| C75 | C74 | H741 | 120.4° | 119.9° |
| C74 | C75 | H751 | 119.3° | 119.8° |
| O76 | C76 | N76 | 122.2° | 120.0° |
| C76 | N76 | C77 | 121.2° | 120.0° |
| C76 | N76 | HN76 | 115.0° | 120.0° |
| C77 | N76 | HN76 | 123.8° | 120.0° |
| N76 | C77 | N77 | 125.1° | 129.0° |
| N76 | C77 | S79 | 123.9° | 128.9° |
| C77 | N77 | C78 | 112.1° | 121.2° |
| N77 | C77 | S79 | 110.9° | 102.1° |
| N77 | C78 | C79 | 115.9° | 118.4° |
| N77 | C78 | H781 | 120.8° | 120.8° |
| C77 | S79 | C79 | 95.1° | 97.5° |
| C79 | C78 | H781 | 123.3° | 120.8° |
| C78 | C79 | S79 | 106.0° | 100.7° |
| C78 | C79 | H791 | 120.2° | 129.6° |
| S79 | C79 | H791 | 133.8° | 129.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | N7 | 179.1° | 179.9° |
| O1 | C1 | N2 | C2 | 17.5° | 7.7° |
| O1 | C1 | N2 | C3 | 155.4° | 172.4° |
| O1 | C1 | N7 | C6 | 151.3° | 162.4° |
| O1 | C1 | N7 | C7 | 17.5° | 17.5° |
| O4 | C4 | C5 | O5 | 52.0° | 88.0° |
| O4 | C4 | C3 | N2 | 165.4° | 154.0° |
| O4 | C4 | C3 | C5 | 122.1° | 120.7° |
| O4 | C4 | C3 | H41 | 119.9° | 118.7° |
| O4 | C4 | C3 | C31 | 64.8° | 85.8° |
| O4 | C4 | C3 | H31 | 49.7° | 33.5° |
| O4 | C4 | C5 | H41 | 119.8° | 118.7° |
| O4 | C4 | C5 | C6 | 167.8° | 151.6° |
| O4 | C4 | C5 | H51 | 69.5° | 31.1° |
| HO41 | O4 | C4 | C3 | 180.0° | 178.7° |
| HO41 | O4 | C4 | C5 | 57.3° | 58.8° |
| HO41 | O4 | C4 | H41 | 60.8° | 60.1° |
| O5 | C5 | C6 | N7 | 166.4° | 66.9° |
| O5 | C5 | C4 | C3 | 173.1° | 151.4° |
| O5 | C5 | C4 | C6 | 115.8° | 120.4° |
| O5 | C5 | C4 | H51 | 121.4° | 119.0° |
| O5 | C5 | C4 | H41 | 67.9° | 30.8° |
| O5 | C5 | C6 | H51 | 121.1° | 119.0° |
| O5 | C5 | C6 | C61 | 61.4° | 53.3° |
| O5 | C5 | C6 | H61 | 54.1° | 172.7° |
| HO51 | O5 | C5 | C4 | 180.0° | 60.0° |
| HO51 | O5 | C5 | C6 | 61.5° | 178.1° |
| HO51 | O5 | C5 | H51 | 61.1° | 59.0° |
| C1 | N2 | C2 | C3 | 173.5° | 179.9° |
| N2 | C1 | N7 | C6 | 27.7° | 17.7° |
| N2 | C1 | N7 | C7 | 163.5° | 162.4° |
| C1 | N2 | C2 | C20 | 132.2° | 90.1° |
| C1 | N2 | C2 | H21 | 102.5° | 149.9° |
| C1 | N2 | C2 | H22 | 7.0° | 29.9° |
| C1 | N2 | C3 | C4 | 63.7° | 43.4° |
| C1 | N2 | C3 | C31 | 71.4° | 76.6° |
| C1 | N2 | C3 | H31 | 170.9° | 164.0° |
| C2 | N2 | C1 | N7 | 161.5° | 172.4° |
| N2 | C2 | C20 | H21 | 125.3° | 120.0° |
| N2 | C2 | C20 | H22 | 125.3° | 120.0° |
| N2 | C2 | H21 | H22 | 115.1° | 120.1° |
| C2 | N2 | C3 | C4 | 123.4° | 136.7° |
| C2 | N2 | C3 | C31 | 101.4° | 103.4° |
| C2 | N2 | C3 | H31 | 16.3° | 16.1° |
| N2 | C2 | C20 | C21 | 136.4° | 90.3° |
| N2 | C2 | C20 | C25 | 45.4° | 90.0° |
| C3 | N2 | C1 | N7 | 25.6° | 7.5° |
| C3 | N2 | C2 | C20 | 54.3° | 90.0° |
| C3 | N2 | C2 | H21 | 71.0° | 30.0° |
| C3 | N2 | C2 | H22 | 179.6° | 150.1° |
| N2 | C3 | C4 | C31 | 129.7° | 120.2° |
| N2 | C3 | C4 | H31 | 115.7° | 120.5° |
| N2 | C3 | C31 | H31 | 118.6° | 119.4° |
| N2 | C3 | C4 | C5 | 72.5° | 85.3° |
| N2 | C3 | C4 | H41 | 45.5° | 35.3° |
| N2 | C3 | C31 | C32 | 68.9° | 118.3° |
| N2 | C3 | C31 | H311 | 165.8° | 121.6° |
| N2 | C3 | C31 | H312 | 56.4° | 1.7° |
| C1 | N7 | C6 | C7 | 168.6° | 179.9° |
| C1 | N7 | C6 | C5 | 66.8° | 78.9° |
| C1 | N7 | C6 | C61 | 66.4° | 160.9° |
| C1 | N7 | C6 | H61 | 177.5° | 41.5° |
| C1 | N7 | C7 | C70 | 132.7° | 84.1° |
| C1 | N7 | C7 | H71 | 102.0° | 35.9° |
| C1 | N7 | C7 | H72 | 7.4° | 155.9° |
| N7 | C6 | C5 | C4 | 73.6° | 53.6° |
| N7 | C6 | C5 | C61 | 132.2° | 120.2° |
| N7 | C6 | C5 | H61 | 112.3° | 120.4° |
| N7 | C6 | C5 | H51 | 45.2° | 174.1° |
| N7 | C6 | C61 | H61 | 113.8° | 119.4° |
| C6 | N7 | C7 | C70 | 57.7° | 95.9° |
| C6 | N7 | C7 | H71 | 67.5° | 144.0° |
| C6 | N7 | C7 | H72 | 177.0° | 24.0° |
| N7 | C6 | C61 | C62 | 60.4° | 173.2° |
| N7 | C6 | C61 | H611 | 174.3° | 66.7° |
| N7 | C6 | C61 | H612 | 64.8° | 53.2° |
| C7 | N7 | C6 | C5 | 124.6° | 101.2° |
| C7 | N7 | C6 | C61 | 102.1° | 19.0° |
| C7 | N7 | C6 | H61 | 13.9° | 138.4° |
| N7 | C7 | C70 | H71 | 125.3° | 120.1° |
| N7 | C7 | C70 | H72 | 125.3° | 120.0° |
| N7 | C7 | H71 | H72 | 115.6° | 120.0° |
| N7 | C7 | C70 | C71 | 133.7° | 96.9° |
| N7 | C7 | C70 | C75 | 44.5° | 83.4° |
| C20 | C2 | H21 | H22 | 115.2° | 119.9° |
| C2 | C20 | C21 | C25 | 178.3° | 179.7° |
| C2 | C20 | C21 | C22 | 178.3° | 179.7° |
| C2 | C20 | C21 | H211 | 1.7° | 0.3° |
| C2 | C20 | C25 | C24 | 177.4° | 180.0° |
| C2 | C20 | C25 | H251 | 2.6° | 0.0° |
| H21 | C2 | C20 | C21 | 11.1° | 149.7° |
| H21 | C2 | C20 | C25 | 170.6° | 30.0° |
| H22 | C2 | C20 | C21 | 98.4° | 29.7° |
| H22 | C2 | C20 | C25 | 79.9° | 150.0° |
| C4 | C3 | C31 | H31 | 106.8° | 119.4° |
| C3 | C4 | C5 | H41 | 119.1° | 120.6° |
| C3 | C4 | C5 | C6 | 71.1° | 31.0° |
| C3 | C4 | C5 | H51 | 51.6° | 89.6° |
| C4 | C3 | C31 | C32 | 156.6° | 120.5° |
| C4 | C3 | C31 | H311 | 31.3° | 0.5° |
| C4 | C3 | C31 | H312 | 78.2° | 119.5° |
| C31 | C3 | C4 | C5 | 57.3° | 34.9° |
| C31 | C3 | C4 | H41 | 175.3° | 155.6° |
| C3 | C31 | C32 | H311 | 125.3° | 120.0° |
| C3 | C31 | C32 | H312 | 125.2° | 120.0° |
| C3 | C31 | H311 | H312 | 117.4° | 119.9° |
| C3 | C31 | C32 | C33 | 105.3° | 90.0° |
| C3 | C31 | C32 | C37 | 72.7° | 90.3° |
| H31 | C3 | C4 | C5 | 171.8° | 154.2° |
| H31 | C3 | C4 | H41 | 70.2° | 85.2° |
| H31 | C3 | C31 | C32 | 49.7° | 1.1° |
| H31 | C3 | C31 | H311 | 75.6° | 118.9° |
| H31 | C3 | C31 | H312 | 174.9° | 121.1° |
| C4 | C5 | C6 | H51 | 118.8° | 120.6° |
| C4 | C5 | C6 | C61 | 58.7° | 173.7° |
| C4 | C5 | C6 | H61 | 174.1° | 66.9° |
| H41 | C4 | C5 | C6 | 47.9° | 89.7° |
| H41 | C4 | C5 | H51 | 170.7° | 149.8° |
| C5 | C6 | C61 | H61 | 111.5° | 119.4° |
| C5 | C6 | C61 | C62 | 164.9° | 65.5° |
| C5 | C6 | C61 | H611 | 39.6° | 54.5° |
| C5 | C6 | C61 | H612 | 69.9° | 174.5° |
| H51 | C5 | C6 | C61 | 177.5° | 65.7° |
| H51 | C5 | C6 | H61 | 67.1° | 53.7° |
| C6 | C61 | C62 | H611 | 125.3° | 120.0° |
| C6 | C61 | C62 | H612 | 125.2° | 120.0° |
| C6 | C61 | H611 | H612 | 115.7° | 120.0° |
| C6 | C61 | C62 | C63 | 103.1° | 95.3° |
| C6 | C61 | C62 | C67 | 74.9° | 85.0° |
| H61 | C6 | C61 | C62 | 53.3° | 53.9° |
| H61 | C6 | C61 | H611 | 71.9° | 173.9° |
| H61 | C6 | C61 | H612 | 178.5° | 66.1° |
| C70 | C7 | H71 | H72 | 115.5° | 119.9° |
| C7 | C70 | C71 | C75 | 178.3° | 179.7° |
| C7 | C70 | C71 | C72 | 176.6° | 179.7° |
| C7 | C70 | C71 | H711 | 3.4° | 0.3° |
| C7 | C70 | C75 | C74 | 176.6° | 180.0° |
| C7 | C70 | C75 | H751 | 3.5° | 0.0° |
| H71 | C7 | C70 | C71 | 8.4° | 143.0° |
| H71 | C7 | C70 | C75 | 169.8° | 36.7° |
| H72 | C7 | C70 | C71 | 101.0° | 23.1° |
| H72 | C7 | C70 | C75 | 80.8° | 156.7° |
| C32 | C31 | H311 | H312 | 117.4° | 120.0° |
| C31 | C32 | C33 | C37 | 178.0° | 179.7° |
| C31 | C32 | C33 | C34 | 177.2° | 180.0° |
| C31 | C32 | C33 | H331 | 2.8° | 0.0° |
| C31 | C32 | C37 | C36 | 177.6° | 179.8° |
| C31 | C32 | C37 | H371 | 2.4° | 0.2° |
| H311 | C31 | C32 | C33 | 129.4° | 30.0° |
| H311 | C31 | C32 | C37 | 52.6° | 149.7° |
| H312 | C31 | C32 | C33 | 20.0° | 150.0° |
| H312 | C31 | C32 | C37 | 162.1° | 29.7° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.0° |
| C32 | C33 | C34 | H341 | 179.4° | 179.9° |
| C33 | C32 | C37 | C36 | 0.4° | 0.5° |
| C33 | C32 | C37 | H371 | 179.6° | 179.9° |
| C37 | C32 | C33 | C34 | 0.8° | 0.2° |
| C37 | C32 | C33 | H331 | 179.2° | 179.7° |
| C32 | C37 | C36 | C35 | 0.3° | 0.5° |
| C32 | C37 | C36 | H371 | 180.0° | 179.6° |
| C32 | C37 | C36 | H361 | 179.8° | 179.7° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H351 | 180.0° | 179.9° |
| H331 | C33 | C34 | C35 | 179.4° | 180.0° |
| H331 | C33 | C34 | H341 | 0.6° | 0.1° |
| C34 | C35 | C36 | H351 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.5° | 0.2° |
| C34 | C35 | C36 | H361 | 179.6° | 180.0° |
| H341 | C34 | C35 | C36 | 180.0° | 180.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.1° |
| C35 | C36 | C37 | H361 | 180.0° | 179.8° |
| C35 | C36 | C37 | H371 | 179.7° | 180.0° |
| H351 | C35 | C36 | C37 | 179.5° | 179.9° |
| H351 | C35 | C36 | H361 | 0.4° | 0.1° |
| H361 | C36 | C37 | H371 | 0.2° | 0.2° |
| C62 | C61 | H611 | H612 | 115.6° | 120.0° |
| C61 | C62 | C63 | C67 | 178.0° | 179.7° |
| C61 | C62 | C63 | C64 | 177.6° | 180.0° |
| C61 | C62 | C63 | H631 | 2.3° | 0.1° |
| C61 | C62 | C67 | C66 | 177.1° | 179.8° |
| C61 | C62 | C67 | H671 | 2.9° | 0.3° |
| H611 | C61 | C62 | C63 | 131.7° | 24.7° |
| H611 | C61 | C62 | C67 | 50.3° | 154.9° |
| H612 | C61 | C62 | C63 | 22.2° | 144.7° |
| H612 | C61 | C62 | C67 | 159.8° | 34.9° |
| C62 | C63 | C64 | H631 | 180.0° | 179.9° |
| C62 | C63 | C64 | C65 | 0.2° | 0.0° |
| C62 | C63 | C64 | H641 | 179.8° | 180.0° |
| C63 | C62 | C67 | C66 | 0.9° | 0.5° |
| C63 | C62 | C67 | H671 | 179.1° | 179.9° |
| C67 | C62 | C63 | C64 | 0.3° | 0.3° |
| C67 | C62 | C63 | H631 | 179.7° | 179.7° |
| C62 | C67 | C66 | C65 | 0.8° | 0.4° |
| C62 | C67 | C66 | H671 | 180.0° | 179.5° |
| C62 | C67 | C66 | H661 | 179.2° | 179.7° |
| C63 | C64 | C65 | H641 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.3° | 0.1° |
| C63 | C64 | C65 | H651 | 179.6° | 180.0° |
| H631 | C63 | C64 | C65 | 179.7° | 180.0° |
| H631 | C63 | C64 | H641 | 0.2° | 0.0° |
| C64 | C65 | C66 | H651 | 180.0° | 180.0° |
| C64 | C65 | C66 | C67 | 0.2° | 0.1° |
| C64 | C65 | C66 | H661 | 179.8° | 180.0° |
| H641 | C64 | C65 | C66 | 179.7° | 179.9° |
| H641 | C64 | C65 | H651 | 0.3° | 0.0° |
| C65 | C66 | C67 | H661 | 180.0° | 179.9° |
| C65 | C66 | C67 | H671 | 179.2° | 180.0° |
| H651 | C65 | C66 | C67 | 179.8° | 179.8° |
| H651 | C65 | C66 | H661 | 0.2° | 0.1° |
| H661 | C66 | C67 | H671 | 0.8° | 0.2° |
| C20 | C21 | C22 | H211 | 179.9° | 179.4° |
| C20 | C21 | C22 | C23 | 0.6° | 0.6° |
| C20 | C21 | C22 | C26 | 177.4° | 179.7° |
| C21 | C20 | C25 | C24 | 0.8° | 0.3° |
| C21 | C20 | C25 | H251 | 179.2° | 179.7° |
| C25 | C20 | C21 | C22 | 0.0° | 0.6° |
| C25 | C20 | C21 | H211 | 179.9° | 180.0° |
| C20 | C25 | C24 | C23 | 1.1° | 0.0° |
| C20 | C25 | C24 | H251 | 180.0° | 180.0° |
| C20 | C25 | C24 | H241 | 178.9° | 179.9° |
| C21 | C22 | C23 | C26 | 178.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C21 | C22 | C23 | H231 | 179.6° | 179.8° |
| C21 | C22 | C26 | O26 | 156.5° | 0.3° |
| C21 | C22 | C26 | N26 | 25.1° | 179.8° |
| H211 | C21 | C22 | C23 | 179.4° | 180.0° |
| H211 | C21 | C22 | C26 | 2.6° | 0.3° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C22 | C23 | C24 | H241 | 179.5° | 179.9° |
| C23 | C22 | C26 | O26 | 21.5° | 180.0° |
| C23 | C22 | C26 | N26 | 156.8° | 0.1° |
| C26 | C22 | C23 | C24 | 177.7° | 180.0° |
| C26 | C22 | C23 | H231 | 2.4° | 0.1° |
| C22 | C26 | O26 | N26 | 178.1° | 179.9° |
| C22 | C26 | N26 | C27 | 173.4° | 180.0° |
| C22 | C26 | N26 | HN26 | 6.5° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | H251 | 178.9° | 179.9° |
| H231 | C23 | C24 | C25 | 179.5° | 179.9° |
| H231 | C23 | C24 | H241 | 0.5° | 0.0° |
| H241 | C24 | C25 | H251 | 1.1° | 0.1° |
| O26 | C26 | N26 | C27 | 4.9° | 0.0° |
| O26 | C26 | N26 | HN26 | 175.1° | 180.0° |
| C26 | N26 | C27 | HN26 | 180.0° | 180.0° |
| C26 | N26 | C27 | N27 | 166.0° | 0.3° |
| C26 | N26 | C27 | S29 | 17.5° | 179.9° |
| N26 | C27 | N27 | S29 | 176.9° | 179.7° |
| N26 | C27 | N27 | C28 | 176.4° | 179.8° |
| N26 | C27 | S29 | C29 | 176.4° | 180.0° |
| HN26 | N26 | C27 | N27 | 14.0° | 179.7° |
| HN26 | N26 | C27 | S29 | 162.5° | 0.1° |
| C27 | N27 | C28 | C29 | 0.3° | 0.5° |
| C27 | N27 | C28 | H281 | 179.7° | 179.7° |
| N27 | C27 | S29 | C29 | 0.5° | 0.3° |
| C28 | N27 | C27 | S29 | 0.5° | 0.5° |
| N27 | C28 | C29 | H281 | 180.0° | 179.8° |
| N27 | C28 | C29 | S29 | 0.1° | 0.2° |
| N27 | C28 | C29 | H291 | 179.9° | 179.8° |
| C27 | S29 | C29 | C28 | 0.3° | 0.0° |
| C27 | S29 | C29 | H291 | 179.7° | 180.0° |
| C28 | C29 | S29 | H291 | 180.0° | 180.0° |
| H281 | C28 | C29 | S29 | 179.9° | 180.0° |
| H281 | C28 | C29 | H291 | 0.1° | 0.0° |
| C70 | C71 | C72 | H711 | 180.0° | 179.5° |
| C70 | C71 | C72 | C73 | 0.7° | 0.5° |
| C70 | C71 | C72 | C76 | 179.0° | 179.7° |
| C71 | C70 | C75 | C74 | 1.6° | 0.2° |
| C71 | C70 | C75 | H751 | 178.4° | 179.7° |
| C75 | C70 | C71 | C72 | 1.6° | 0.5° |
| C75 | C70 | C71 | H711 | 178.3° | 180.0° |
| C70 | C75 | C74 | C73 | 0.5° | 0.1° |
| C70 | C75 | C74 | H751 | 179.9° | 180.0° |
| C70 | C75 | C74 | H741 | 179.5° | 180.0° |
| C71 | C72 | C73 | C76 | 179.7° | 179.8° |
| C71 | C72 | C73 | C74 | 0.3° | 0.2° |
| C71 | C72 | C73 | H731 | 179.7° | 179.7° |
| C71 | C72 | C76 | O76 | 151.4° | 0.3° |
| C71 | C72 | C76 | N76 | 27.6° | 179.8° |
| H711 | C71 | C72 | C73 | 179.3° | 180.0° |
| H711 | C71 | C72 | C76 | 1.0° | 0.2° |
| C72 | C73 | C74 | H731 | 180.0° | 180.0° |
| C72 | C73 | C74 | C75 | 0.4° | 0.1° |
| C72 | C73 | C74 | H741 | 179.5° | 180.0° |
| C73 | C72 | C76 | O76 | 28.3° | 179.9° |
| C73 | C72 | C76 | N76 | 152.7° | 0.0° |
| C76 | C72 | C73 | C74 | 180.0° | 180.0° |
| C76 | C72 | C73 | H731 | 0.0° | 0.0° |
| C72 | C76 | O76 | N76 | 179.0° | 179.9° |
| C72 | C76 | N76 | C77 | 179.5° | 180.0° |
| C72 | C76 | N76 | HN76 | 0.4° | 0.0° |
| C73 | C74 | C75 | H741 | 180.0° | 179.9° |
| C73 | C74 | C75 | H751 | 179.4° | 180.0° |
| H731 | C73 | C74 | C75 | 179.6° | 180.0° |
| H731 | C73 | C74 | H741 | 0.4° | 0.0° |
| H741 | C74 | C75 | H751 | 0.5° | 0.0° |
| O76 | C76 | N76 | C77 | 1.4° | 0.1° |
| O76 | C76 | N76 | HN76 | 178.6° | 180.0° |
| C76 | N76 | C77 | HN76 | 180.0° | 180.0° |
| C76 | N76 | C77 | N77 | 177.5° | 0.3° |
| C76 | N76 | C77 | S79 | 1.4° | 180.0° |
| N76 | C77 | N77 | S79 | 176.5° | 179.8° |
| N76 | C77 | N77 | C78 | 175.9° | 179.7° |
| N76 | C77 | S79 | C79 | 176.0° | 180.0° |
| HN76 | N76 | C77 | N77 | 2.5° | 179.7° |
| HN76 | N76 | C77 | S79 | 178.5° | 0.0° |
| C77 | N77 | C78 | C79 | 0.3° | 0.6° |
| C77 | N77 | C78 | H781 | 179.7° | 179.8° |
| N77 | C77 | S79 | C79 | 0.5° | 0.2° |
| C78 | N77 | C77 | S79 | 0.6° | 0.5° |
| N77 | C78 | C79 | H781 | 180.0° | 179.7° |
| N77 | C78 | C79 | S79 | 0.1° | 0.3° |
| N77 | C78 | C79 | H791 | 179.9° | 179.7° |
| C77 | S79 | C79 | C78 | 0.3° | 0.0° |
| C77 | S79 | C79 | H791 | 179.6° | 180.0° |
| C78 | C79 | S79 | H791 | 180.0° | 180.0° |
| H781 | C78 | C79 | S79 | 179.9° | 180.0° |
| H781 | C78 | C79 | H791 | 0.1° | 0.1° |
