VG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.37Å | 1.37Å | |
| C1 | O6 | doub | 1.24Å | 1.24Å | |
| C1 | C7 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | C5 | sing | 1.55Å | 1.55Å | |
| C4 | O19 | sing | 1.41Å | 1.41Å | |
| C4 | C21 | sing | 1.54Å | 1.54Å | |
| C5 | C13 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.43Å | 1.43Å | Aromatic |
| C7 | C12 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.42Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.42Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | S23 | sing | 1.78Å | 1.78Å | |
| C13 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C18 | doub | 1.42Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.42Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | N22 | sing | 1.47Å | 1.47Å | |
| C20 | C24 | sing | 1.54Å | 1.54Å | |
| C20 | C38 | sing | 1.56Å | 1.56Å | |
| C21 | N22 | sing | 1.46Å | 1.46Å | |
| S23 | C60 | sing | 1.79Å | 1.79Å | |
| S23 | O76 | doub | 1.44Å | 1.44Å | |
| S23 | O77 | doub | 1.43Å | 1.43Å | |
| C38 | N39 | sing | 1.35Å | 1.35Å | |
| C38 | O41 | doub | 1.23Å | 1.23Å | |
| N39 | C40 | sing | 1.47Å | 1.47Å | |
| C40 | C43 | sing | 1.55Å | 1.55Å | |
| C40 | C47 | sing | 1.55Å | 1.55Å | |
| C43 | C44 | sing | 1.58Å | 1.58Å | |
| C44 | C45 | sing | 1.55Å | 1.55Å | |
| C45 | C46 | sing | 1.55Å | 1.55Å | |
| C46 | C47 | sing | 1.55Å | 1.55Å | |
| C60 | C61 | sing | 1.54Å | 1.54Å | |
| C61 | C64 | sing | 1.53Å | 1.53Å | |
| C64 | C67 | sing | 1.54Å | 1.54Å | |
| C67 | C70 | sing | 1.53Å | 1.53Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C5 | H5C1 | sing | 1.10Å | 1.10Å | |
| C5 | H5C2 | sing | 1.10Å | 1.10Å | |
| O19 | H19 | sing | 0.95Å | 0.95Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| N22 | H22 | sing | 1.00Å | 1.00Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C24 | H243 | sing | 1.10Å | 1.10Å | |
| C60 | H601 | sing | 1.10Å | 1.10Å | |
| C60 | H602 | sing | 1.10Å | 1.10Å | |
| N39 | H39 | sing | 1.00Å | 1.00Å | |
| C40 | H40 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C61 | H611 | sing | 1.10Å | 1.10Å | |
| C61 | H612 | sing | 1.10Å | 1.10Å | |
| C64 | H641 | sing | 1.10Å | 1.10Å | |
| C64 | H642 | sing | 1.10Å | 1.10Å | |
| C67 | H671 | sing | 1.10Å | 1.10Å | |
| C67 | H672 | sing | 1.10Å | 1.10Å | |
| C70 | H701 | sing | 1.10Å | 1.10Å | |
| C70 | H702 | sing | 1.10Å | 1.10Å | |
| C70 | H703 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O6 | 121.6° | 121.6° |
| N2 | C1 | C7 | 114.4° | 114.4° |
| C1 | N2 | C3 | 123.9° | 123.9° |
| C1 | N2 | H2 | 118.1° | 118.1° |
| O6 | C1 | C7 | 123.9° | 123.9° |
| C1 | C7 | C8 | 121.7° | 121.7° |
| C1 | C7 | C12 | 119.1° | 119.1° |
| N2 | C3 | C4 | 106.3° | 106.3° |
| N2 | C3 | C5 | 109.9° | 109.9° |
| C3 | N2 | H2 | 118.0° | 118.0° |
| N2 | C3 | H3 | 112.4° | 112.4° |
| C4 | C3 | C5 | 112.6° | 112.6° |
| C3 | C4 | O19 | 112.1° | 112.1° |
| C3 | C4 | C21 | 111.7° | 111.7° |
| C4 | C3 | H3 | 109.6° | 109.6° |
| C3 | C4 | H4 | 105.5° | 105.5° |
| C3 | C5 | C13 | 113.9° | 113.9° |
| C5 | C3 | H3 | 106.1° | 106.1° |
| C3 | C5 | H5C1 | 108.0° | 108.0° |
| C3 | C5 | H5C2 | 107.0° | 107.0° |
| O19 | C4 | C21 | 107.7° | 107.7° |
| O19 | C4 | H4 | 109.7° | 109.7° |
| C4 | O19 | H19 | 109.5° | 109.5° |
| C4 | C21 | N22 | 109.5° | 109.5° |
| C21 | C4 | H4 | 110.1° | 110.1° |
| C4 | C21 | H211 | 109.4° | 109.4° |
| C4 | C21 | H212 | 109.5° | 109.5° |
| C5 | C13 | C14 | 120.4° | 120.4° |
| C5 | C13 | C18 | 120.5° | 120.5° |
| C13 | C5 | H5C1 | 108.0° | 108.0° |
| C13 | C5 | H5C2 | 107.0° | 107.0° |
| C8 | C7 | C12 | 119.2° | 119.2° |
| C7 | C8 | C9 | 120.4° | 120.4° |
| C7 | C8 | H8 | 119.8° | 119.8° |
| C7 | C12 | C11 | 120.0° | 120.0° |
| C7 | C12 | H12 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.2° |
| C9 | C8 | H8 | 119.8° | 119.8° |
| C8 | C9 | H9 | 119.9° | 119.9° |
| C9 | C10 | C11 | 119.9° | 119.9° |
| C10 | C9 | H9 | 119.9° | 119.9° |
| C9 | C10 | H10 | 120.1° | 120.1° |
| C10 | C11 | C12 | 120.4° | 120.4° |
| C10 | C11 | S23 | 119.1° | 119.1° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C12 | C11 | S23 | 120.5° | 120.5° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | S23 | C60 | 103.2° | 103.2° |
| C11 | S23 | O76 | 107.6° | 107.6° |
| C11 | S23 | O77 | 108.3° | 108.3° |
| C14 | C13 | C18 | 119.1° | 119.1° |
| C13 | C14 | C15 | 120.4° | 120.4° |
| C13 | C14 | H14 | 119.8° | 119.8° |
| C13 | C18 | C17 | 120.4° | 120.4° |
| C13 | C18 | H18 | 119.8° | 119.8° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H14 | 119.8° | 119.8° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.8° | 119.8° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| N22 | C20 | C24 | 110.0° | 110.0° |
| N22 | C20 | C38 | 110.8° | 110.8° |
| C20 | N22 | C21 | 122.0° | 122.0° |
| N22 | C20 | H20 | 108.5° | 108.5° |
| C20 | N22 | H22 | 105.5° | 105.5° |
| C24 | C20 | C38 | 110.5° | 110.5° |
| C24 | C20 | H20 | 108.9° | 108.9° |
| C20 | C24 | H241 | 109.5° | 109.5° |
| C20 | C24 | H242 | 109.5° | 109.5° |
| C20 | C24 | H243 | 109.5° | 109.5° |
| C20 | C38 | N39 | 112.0° | 112.0° |
| C20 | C38 | O41 | 122.5° | 122.5° |
| C38 | C20 | H20 | 108.1° | 108.1° |
| N22 | C21 | H211 | 109.5° | 109.5° |
| N22 | C21 | H212 | 109.5° | 109.4° |
| C21 | N22 | H22 | 105.5° | 105.5° |
| C60 | S23 | O76 | 108.1° | 108.1° |
| C60 | S23 | O77 | 110.1° | 110.1° |
| S23 | C60 | C61 | 109.1° | 109.1° |
| S23 | C60 | H601 | 109.6° | 109.6° |
| S23 | C60 | H602 | 109.7° | 109.7° |
| O76 | S23 | O77 | 118.4° | 118.4° |
| N39 | C38 | O41 | 125.5° | 125.5° |
| C38 | N39 | C40 | 123.3° | 123.3° |
| C38 | N39 | H39 | 118.4° | 118.4° |
| N39 | C40 | C43 | 109.0° | 109.0° |
| N39 | C40 | C47 | 109.8° | 109.8° |
| C40 | N39 | H39 | 118.4° | 118.4° |
| N39 | C40 | H40 | 110.0° | 110.0° |
| C43 | C40 | C47 | 110.7° | 110.7° |
| C40 | C43 | C44 | 109.8° | 109.8° |
| C43 | C40 | H40 | 109.1° | 109.1° |
| C40 | C43 | H431 | 109.4° | 109.4° |
| C40 | C43 | H432 | 109.3° | 109.3° |
| C40 | C47 | C46 | 111.2° | 111.2° |
| C47 | C40 | H40 | 108.2° | 108.2° |
| C40 | C47 | H471 | 108.9° | 108.9° |
| C40 | C47 | H472 | 108.5° | 108.5° |
| C43 | C44 | C45 | 112.7° | 112.7° |
| C44 | C43 | H431 | 109.4° | 109.4° |
| C44 | C43 | H432 | 109.3° | 109.3° |
| C43 | C44 | H441 | 108.4° | 108.4° |
| C43 | C44 | H442 | 107.7° | 107.7° |
| C44 | C45 | C46 | 112.0° | 112.0° |
| C45 | C44 | H441 | 108.4° | 108.4° |
| C45 | C44 | H442 | 107.7° | 107.7° |
| C44 | C45 | H451 | 108.6° | 108.6° |
| C44 | C45 | H452 | 108.0° | 108.0° |
| C45 | C46 | C47 | 112.0° | 112.0° |
| C46 | C45 | H451 | 108.6° | 108.6° |
| C46 | C45 | H452 | 108.0° | 108.0° |
| C45 | C46 | H461 | 108.6° | 108.6° |
| C45 | C46 | H462 | 108.1° | 108.1° |
| C46 | C47 | H471 | 108.9° | 108.9° |
| C46 | C47 | H472 | 108.5° | 108.5° |
| C47 | C46 | H461 | 108.6° | 108.6° |
| C47 | C46 | H462 | 108.1° | 108.1° |
| C60 | C61 | C64 | 113.4° | 113.4° |
| C61 | C60 | H601 | 109.6° | 109.6° |
| C61 | C60 | H602 | 109.7° | 109.7° |
| C60 | C61 | H611 | 108.2° | 108.2° |
| C60 | C61 | H612 | 107.3° | 107.3° |
| C61 | C64 | C67 | 112.1° | 112.1° |
| C64 | C61 | H611 | 108.2° | 108.2° |
| C64 | C61 | H612 | 107.3° | 107.3° |
| C61 | C64 | H641 | 108.6° | 108.7° |
| C61 | C64 | H642 | 108.0° | 108.0° |
| C64 | C67 | C70 | 112.3° | 112.3° |
| C67 | C64 | H641 | 108.6° | 108.6° |
| C67 | C64 | H642 | 108.0° | 108.0° |
| C64 | C67 | H671 | 108.5° | 108.5° |
| C64 | C67 | H672 | 107.9° | 107.9° |
| C70 | C67 | H671 | 108.5° | 108.5° |
| C70 | C67 | H672 | 107.9° | 107.9° |
| C67 | C70 | H701 | 109.5° | 109.5° |
| C67 | C70 | H702 | 109.5° | 109.5° |
| C67 | C70 | H703 | 109.5° | 109.5° |
| H5C1 | C5 | H5C2 | 113.0° | 113.0° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.1° | 109.2° |
| H431 | C43 | H432 | 109.7° | 109.7° |
| H471 | C47 | H472 | 110.8° | 110.8° |
| H441 | C44 | H442 | 112.0° | 112.0° |
| H451 | C45 | H452 | 111.5° | 111.5° |
| H461 | C46 | H462 | 111.5° | 111.5° |
| H611 | C61 | H612 | 112.6° | 112.6° |
| H641 | C64 | H642 | 111.5° | 111.5° |
| H671 | C67 | H672 | 111.8° | 111.8° |
| H701 | C70 | H702 | 109.5° | 109.4° |
| H701 | C70 | H703 | 109.5° | 109.4° |
| H702 | C70 | H703 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O6 | C7 | 179.4° | 179.4° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 112.7° | 112.7° |
| C1 | N2 | C3 | C5 | 125.1° | 125.1° |
| N2 | C1 | C7 | C8 | 50.4° | 50.4° |
| N2 | C1 | C7 | C12 | 128.8° | 128.8° |
| C1 | N2 | C3 | H3 | 7.2° | 7.2° |
| O6 | C1 | N2 | C3 | 17.9° | 17.9° |
| O6 | C1 | C7 | C8 | 130.1° | 130.1° |
| O6 | C1 | C7 | C12 | 50.6° | 50.6° |
| O6 | C1 | N2 | H2 | 162.0° | 162.0° |
| C7 | C1 | N2 | C3 | 162.6° | 162.6° |
| C1 | C7 | C8 | C12 | 179.3° | 179.3° |
| C1 | C7 | C8 | C9 | 179.4° | 179.4° |
| C1 | C7 | C12 | C11 | 179.3° | 179.3° |
| C7 | C1 | N2 | H2 | 17.4° | 17.4° |
| C1 | C7 | C8 | H8 | 0.6° | 0.6° |
| C1 | C7 | C12 | H12 | 0.7° | 0.7° |
| N2 | C3 | C4 | C5 | 120.4° | 120.4° |
| N2 | C3 | C4 | H3 | 121.7° | 121.7° |
| N2 | C3 | C5 | H3 | 121.7° | 121.7° |
| N2 | C3 | C4 | O19 | 179.5° | 179.5° |
| N2 | C3 | C4 | C21 | 59.5° | 59.5° |
| N2 | C3 | C5 | C13 | 48.1° | 48.1° |
| N2 | C3 | C4 | H4 | 60.1° | 60.1° |
| N2 | C3 | C5 | H5C1 | 71.9° | 71.9° |
| N2 | C3 | C5 | H5C2 | 166.1° | 166.1° |
| C4 | C3 | C5 | H3 | 119.9° | 119.9° |
| C3 | C4 | O19 | C21 | 123.3° | 123.3° |
| C3 | C4 | O19 | H4 | 116.9° | 116.9° |
| C3 | C4 | C21 | H4 | 116.9° | 116.9° |
| C4 | C3 | C5 | C13 | 166.5° | 166.5° |
| C3 | C4 | C21 | N22 | 169.3° | 169.3° |
| C4 | C3 | N2 | H2 | 67.3° | 67.3° |
| C4 | C3 | C5 | H5C1 | 46.5° | 46.5° |
| C4 | C3 | C5 | H5C2 | 75.5° | 75.5° |
| C3 | C4 | O19 | H19 | 146.8° | 146.9° |
| C3 | C4 | C21 | H211 | 70.7° | 70.7° |
| C3 | C4 | C21 | H212 | 49.3° | 49.3° |
| C5 | C3 | C4 | O19 | 59.1° | 59.1° |
| C5 | C3 | C4 | C21 | 179.9° | 179.9° |
| C3 | C5 | C13 | H5C1 | 120.0° | 120.0° |
| C3 | C5 | C13 | H5C2 | 118.0° | 118.0° |
| C3 | C5 | C13 | C14 | 124.8° | 124.8° |
| C3 | C5 | C13 | C18 | 55.0° | 55.0° |
| C5 | C3 | N2 | H2 | 54.9° | 54.9° |
| C5 | C3 | C4 | H4 | 60.3° | 60.3° |
| C3 | C5 | H5C1 | H5C2 | 118.2° | 118.2° |
| O19 | C4 | C21 | H4 | 119.5° | 119.5° |
| O19 | C4 | C21 | N22 | 45.7° | 45.7° |
| O19 | C4 | C3 | H3 | 58.8° | 58.8° |
| O19 | C4 | C21 | H211 | 165.7° | 165.7° |
| O19 | C4 | C21 | H212 | 74.3° | 74.3° |
| C4 | C21 | N22 | C20 | 146.7° | 146.7° |
| C4 | C21 | N22 | H211 | 120.0° | 120.0° |
| C4 | C21 | N22 | H212 | 120.0° | 120.0° |
| C21 | C4 | C3 | H3 | 62.3° | 62.3° |
| C21 | C4 | O19 | H19 | 23.5° | 23.5° |
| C4 | C21 | H211 | H212 | 120.0° | 120.0° |
| C4 | C21 | N22 | H22 | 93.3° | 93.3° |
| C5 | C13 | C14 | C18 | 179.9° | 179.9° |
| C5 | C13 | C14 | C15 | 179.9° | 179.9° |
| C5 | C13 | C18 | C17 | 179.8° | 179.8° |
| C13 | C5 | C3 | H3 | 73.6° | 73.6° |
| C13 | C5 | H5C1 | H5C2 | 118.2° | 118.2° |
| C5 | C13 | C14 | H14 | 0.1° | 0.1° |
| C5 | C13 | C18 | H18 | 0.2° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.2° |
| C8 | C7 | C12 | C11 | 0.1° | 0.1° |
| C8 | C7 | C12 | H12 | 179.9° | 179.9° |
| C7 | C8 | C9 | H9 | 179.8° | 179.8° |
| C12 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C12 | C11 | C10 | 0.1° | 0.1° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C7 | C12 | C11 | S23 | 179.3° | 179.3° |
| C12 | C7 | C8 | H8 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.2° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.2° |
| C9 | C10 | C11 | S23 | 179.3° | 179.3° |
| C10 | C9 | C8 | H8 | 179.8° | 179.8° |
| C10 | C11 | C12 | S23 | 179.2° | 179.2° |
| C10 | C11 | S23 | C60 | 62.9° | 62.9° |
| C10 | C11 | S23 | O76 | 51.3° | 51.3° |
| C10 | C11 | S23 | O77 | 179.7° | 179.7° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C10 | C9 | H9 | 179.8° | 179.8° |
| C12 | C11 | S23 | C60 | 117.9° | 117.9° |
| C12 | C11 | S23 | O76 | 127.9° | 127.9° |
| C12 | C11 | S23 | O77 | 1.1° | 1.1° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| C11 | S23 | C60 | O76 | 113.8° | 113.8° |
| C11 | S23 | C60 | O77 | 115.5° | 115.5° |
| C11 | S23 | O76 | O77 | 123.1° | 123.1° |
| C11 | S23 | C60 | C61 | 179.2° | 179.2° |
| S23 | C11 | C12 | H12 | 0.8° | 0.8° |
| S23 | C11 | C10 | H10 | 0.7° | 0.7° |
| C11 | S23 | C60 | H601 | 59.1° | 59.2° |
| C11 | S23 | C60 | H602 | 60.6° | 60.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.0° |
| C14 | C13 | C5 | H5C1 | 4.9° | 4.9° |
| C14 | C13 | C5 | H5C2 | 117.1° | 117.1° |
| C14 | C13 | C18 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| C18 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C18 | C17 | C16 | 0.1° | 0.1° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | C13 | C5 | H5C1 | 175.0° | 175.0° |
| C18 | C13 | C5 | H5C2 | 63.0° | 63.0° |
| C18 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C18 | C17 | H17 | 179.9° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| N22 | C20 | C24 | C38 | 122.7° | 122.7° |
| N22 | C20 | C24 | H20 | 118.8° | 118.8° |
| N22 | C20 | C38 | H20 | 118.8° | 118.8° |
| C20 | N22 | C21 | H22 | 120.0° | 120.0° |
| N22 | C20 | C38 | N39 | 86.9° | 86.9° |
| N22 | C20 | C38 | O41 | 92.1° | 92.1° |
| C20 | N22 | C21 | H211 | 93.4° | 93.4° |
| C20 | N22 | C21 | H212 | 26.6° | 26.7° |
| N22 | C20 | C24 | H241 | 109.4° | 109.4° |
| N22 | C20 | C24 | H242 | 130.6° | 130.6° |
| N22 | C20 | C24 | H243 | 10.6° | 10.6° |
| C24 | C20 | C38 | H20 | 119.0° | 119.0° |
| C24 | C20 | N22 | C21 | 65.1° | 65.1° |
| C24 | C20 | C38 | N39 | 150.9° | 150.9° |
| C24 | C20 | C38 | O41 | 30.1° | 30.1° |
| C24 | C20 | N22 | H22 | 54.9° | 54.9° |
| C20 | C24 | H241 | H242 | 120.0° | 120.0° |
| C20 | C24 | H241 | H243 | 120.0° | 120.0° |
| C20 | C24 | H242 | H243 | 120.0° | 120.0° |
| C38 | C20 | N22 | C21 | 57.3° | 57.3° |
| C20 | C38 | N39 | O41 | 179.0° | 179.0° |
| C20 | C38 | N39 | C40 | 176.9° | 176.9° |
| C38 | C20 | N22 | H22 | 177.3° | 177.3° |
| C38 | C20 | C24 | H241 | 13.2° | 13.2° |
| C38 | C20 | C24 | H242 | 106.7° | 106.7° |
| C38 | C20 | C24 | H243 | 133.2° | 133.2° |
| C20 | C38 | N39 | H39 | 3.1° | 3.1° |
| N22 | C21 | C4 | H4 | 73.8° | 73.8° |
| N22 | C21 | H211 | H212 | 120.0° | 120.0° |
| C21 | N22 | C20 | H20 | 175.8° | 175.8° |
| C60 | S23 | O76 | O77 | 126.0° | 126.0° |
| S23 | C60 | C61 | H601 | 120.0° | 120.0° |
| S23 | C60 | C61 | H602 | 120.2° | 120.2° |
| S23 | C60 | C61 | C64 | 179.3° | 179.3° |
| S23 | C60 | H601 | H602 | 120.1° | 120.2° |
| S23 | C60 | C61 | H611 | 60.7° | 60.7° |
| S23 | C60 | C61 | H612 | 61.0° | 61.0° |
| O76 | S23 | C60 | C61 | 65.4° | 65.4° |
| O76 | S23 | C60 | H601 | 54.7° | 54.6° |
| O76 | S23 | C60 | H602 | 174.4° | 174.5° |
| O77 | S23 | C60 | C61 | 65.3° | 65.3° |
| O77 | S23 | C60 | H601 | 174.6° | 174.7° |
| O77 | S23 | C60 | H602 | 54.9° | 54.8° |
| C38 | N39 | C40 | H39 | 180.0° | 180.0° |
| C38 | N39 | C40 | C43 | 100.5° | 100.5° |
| C38 | N39 | C40 | C47 | 138.0° | 138.0° |
| N39 | C38 | C20 | H20 | 31.9° | 31.9° |
| C38 | N39 | C40 | H40 | 19.0° | 19.0° |
| O41 | C38 | N39 | C40 | 2.1° | 2.1° |
| O41 | C38 | C20 | H20 | 149.1° | 149.1° |
| O41 | C38 | N39 | H39 | 177.9° | 177.9° |
| N39 | C40 | C43 | C47 | 120.9° | 120.9° |
| N39 | C40 | C43 | H40 | 120.1° | 120.1° |
| N39 | C40 | C47 | H40 | 120.1° | 120.1° |
| N39 | C40 | C43 | C44 | 178.7° | 178.7° |
| N39 | C40 | C47 | C46 | 179.5° | 179.5° |
| N39 | C40 | C43 | H431 | 58.7° | 58.7° |
| N39 | C40 | C43 | H432 | 61.4° | 61.4° |
| N39 | C40 | C47 | H471 | 60.5° | 60.5° |
| N39 | C40 | C47 | H472 | 60.2° | 60.2° |
| C43 | C40 | C47 | H40 | 119.5° | 119.5° |
| C40 | C43 | C44 | H431 | 120.0° | 120.0° |
| C40 | C43 | C44 | H432 | 119.9° | 119.9° |
| C40 | C43 | C44 | C45 | 54.3° | 54.3° |
| C43 | C40 | C47 | C46 | 59.1° | 59.1° |
| C43 | C40 | N39 | H39 | 79.5° | 79.5° |
| C40 | C43 | H431 | H432 | 119.9° | 119.9° |
| C43 | C40 | C47 | H471 | 179.1° | 179.1° |
| C43 | C40 | C47 | H472 | 60.2° | 60.2° |
| C40 | C43 | C44 | H441 | 174.4° | 174.4° |
| C40 | C43 | C44 | H442 | 64.3° | 64.3° |
| C47 | C40 | C43 | C44 | 57.8° | 57.8° |
| C40 | C47 | C46 | C45 | 55.2° | 55.2° |
| C40 | C47 | C46 | H471 | 120.0° | 120.0° |
| C40 | C47 | C46 | H472 | 119.3° | 119.3° |
| C47 | C40 | N39 | H39 | 42.0° | 42.0° |
| C47 | C40 | C43 | H431 | 62.2° | 62.2° |
| C47 | C40 | C43 | H432 | 177.7° | 177.7° |
| C40 | C47 | H471 | H472 | 119.3° | 119.3° |
| C40 | C47 | C46 | H461 | 175.2° | 175.2° |
| C40 | C47 | C46 | H462 | 63.8° | 63.8° |
| C43 | C44 | C45 | H441 | 120.0° | 120.0° |
| C43 | C44 | C45 | H442 | 118.6° | 118.6° |
| C43 | C44 | C45 | C46 | 51.1° | 51.1° |
| C44 | C43 | C40 | H40 | 61.2° | 61.2° |
| C44 | C43 | H431 | H432 | 119.9° | 119.9° |
| C43 | C44 | H441 | H442 | 118.7° | 118.7° |
| C43 | C44 | C45 | H451 | 69.0° | 68.9° |
| C43 | C44 | C45 | H452 | 170.0° | 170.0° |
| C44 | C45 | C46 | H451 | 120.0° | 120.0° |
| C44 | C45 | C46 | H452 | 118.9° | 118.9° |
| C44 | C45 | C46 | C47 | 51.1° | 51.1° |
| C45 | C44 | C43 | H431 | 65.7° | 65.7° |
| C45 | C44 | C43 | H432 | 174.2° | 174.2° |
| C45 | C44 | H441 | H442 | 118.7° | 118.7° |
| C44 | C45 | H451 | H452 | 118.9° | 118.9° |
| C44 | C45 | C46 | H461 | 171.1° | 171.1° |
| C44 | C45 | C46 | H462 | 67.8° | 67.8° |
| C45 | C46 | C47 | H461 | 120.0° | 120.0° |
| C45 | C46 | C47 | H462 | 118.9° | 118.9° |
| C45 | C46 | C47 | H471 | 175.2° | 175.2° |
| C45 | C46 | C47 | H472 | 64.1° | 64.1° |
| C46 | C45 | C44 | H441 | 171.1° | 171.1° |
| C46 | C45 | C44 | H442 | 67.6° | 67.6° |
| C46 | C45 | H451 | H452 | 119.0° | 119.0° |
| C45 | C46 | H461 | H462 | 119.0° | 119.0° |
| C46 | C47 | C40 | H40 | 60.4° | 60.4° |
| C46 | C47 | H471 | H472 | 119.3° | 119.3° |
| C47 | C46 | C45 | H451 | 68.9° | 68.9° |
| C47 | C46 | C45 | H452 | 170.0° | 170.0° |
| C47 | C46 | H461 | H462 | 119.0° | 119.0° |
| C60 | C61 | C64 | H611 | 120.0° | 120.0° |
| C60 | C61 | C64 | H612 | 118.3° | 118.3° |
| C60 | C61 | C64 | C67 | 179.7° | 179.7° |
| C61 | C60 | H601 | H602 | 120.2° | 120.1° |
| C60 | C61 | H611 | H612 | 118.4° | 118.4° |
| C60 | C61 | C64 | H641 | 59.7° | 59.7° |
| C60 | C61 | C64 | H642 | 61.4° | 61.4° |
| C61 | C64 | C67 | H641 | 120.0° | 120.0° |
| C61 | C64 | C67 | H642 | 118.9° | 118.9° |
| C61 | C64 | C67 | C70 | 179.9° | 179.9° |
| C64 | C61 | C60 | H601 | 59.3° | 59.3° |
| C64 | C61 | C60 | H602 | 60.6° | 60.6° |
| C64 | C61 | H611 | H612 | 118.4° | 118.4° |
| C61 | C64 | H641 | H642 | 118.9° | 119.0° |
| C61 | C64 | C67 | H671 | 60.1° | 60.1° |
| C61 | C64 | C67 | H672 | 61.1° | 61.1° |
| C64 | C67 | C70 | H671 | 120.0° | 120.0° |
| C64 | C67 | C70 | H672 | 118.8° | 118.8° |
| C67 | C64 | C61 | H611 | 60.3° | 60.3° |
| C67 | C64 | C61 | H612 | 61.4° | 61.4° |
| C67 | C64 | H641 | H642 | 118.9° | 118.9° |
| C64 | C67 | H671 | H672 | 118.8° | 118.8° |
| C64 | C67 | C70 | H701 | 18.4° | 18.4° |
| C64 | C67 | C70 | H702 | 138.4° | 138.4° |
| C64 | C67 | C70 | H703 | 101.6° | 101.6° |
| C70 | C67 | C64 | H641 | 59.9° | 59.9° |
| C70 | C67 | C64 | H642 | 61.2° | 61.2° |
| C70 | C67 | H671 | H672 | 118.8° | 118.8° |
| C67 | C70 | H701 | H702 | 120.0° | 120.0° |
| C67 | C70 | H701 | H703 | 120.0° | 120.0° |
| C67 | C70 | H702 | H703 | 120.0° | 120.0° |
| H2 | N2 | C3 | H3 | 172.8° | 172.8° |
| H3 | C3 | C4 | H4 | 178.1° | 178.1° |
| H3 | C3 | C5 | H5C1 | 166.4° | 166.4° |
| H3 | C3 | C5 | H5C2 | 44.4° | 44.4° |
| H4 | C4 | O19 | H19 | 96.3° | 96.3° |
| H4 | C4 | C21 | H211 | 46.2° | 46.2° |
| H4 | C4 | C21 | H212 | 166.2° | 166.2° |
| H211 | C21 | N22 | H22 | 26.6° | 26.6° |
| H212 | C21 | N22 | H22 | 146.6° | 146.7° |
| H8 | C8 | C9 | H9 | 0.2° | 0.2° |
| H9 | C9 | C10 | H10 | 0.2° | 0.2° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| H18 | C18 | C17 | H17 | 0.1° | 0.1° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H20 | C20 | N22 | H22 | 64.2° | 64.2° |
| H20 | C20 | C24 | H241 | 131.8° | 131.8° |
| H20 | C20 | C24 | H242 | 11.8° | 11.8° |
| H20 | C20 | C24 | H243 | 108.2° | 108.2° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H601 | C60 | C61 | H611 | 179.3° | 179.3° |
| H601 | C60 | C61 | H612 | 59.0° | 59.0° |
| H602 | C60 | C61 | H611 | 59.4° | 59.5° |
| H602 | C60 | C61 | H612 | 178.9° | 178.8° |
| H39 | N39 | C40 | H40 | 161.0° | 161.0° |
| H40 | C40 | C43 | H431 | 178.8° | 178.8° |
| H40 | C40 | C43 | H432 | 58.7° | 58.7° |
| H40 | C40 | C47 | H471 | 59.6° | 59.6° |
| H40 | C40 | C47 | H472 | 179.7° | 179.7° |
| H431 | C43 | C44 | H441 | 54.3° | 54.3° |
| H431 | C43 | C44 | H442 | 175.7° | 175.7° |
| H432 | C43 | C44 | H441 | 65.8° | 65.8° |
| H432 | C43 | C44 | H442 | 55.6° | 55.6° |
| H471 | C47 | C46 | H461 | 64.8° | 64.8° |
| H471 | C47 | C46 | H462 | 56.3° | 56.3° |
| H472 | C47 | C46 | H461 | 55.9° | 55.9° |
| H472 | C47 | C46 | H462 | 177.0° | 177.0° |
| H441 | C44 | C45 | H451 | 51.1° | 51.1° |
| H441 | C44 | C45 | H452 | 70.0° | 70.0° |
| H442 | C44 | C45 | H451 | 172.4° | 172.5° |
| H442 | C44 | C45 | H452 | 51.3° | 51.3° |
| H451 | C45 | C46 | H461 | 51.1° | 51.1° |
| H451 | C45 | C46 | H462 | 172.2° | 172.2° |
| H452 | C45 | C46 | H461 | 70.0° | 70.0° |
| H452 | C45 | C46 | H462 | 51.1° | 51.1° |
| H611 | C61 | C64 | H641 | 179.7° | 179.7° |
| H611 | C61 | C64 | H642 | 58.6° | 58.6° |
| H612 | C61 | C64 | H641 | 58.6° | 58.5° |
| H612 | C61 | C64 | H642 | 179.7° | 179.7° |
| H641 | C64 | C67 | H671 | 179.8° | 179.9° |
| H641 | C64 | C67 | H672 | 58.9° | 58.9° |
| H642 | C64 | C67 | H671 | 58.8° | 58.8° |
| H642 | C64 | C67 | H672 | 180.0° | 180.0° |
| H671 | C67 | C70 | H701 | 101.6° | 101.6° |
| H671 | C67 | C70 | H702 | 18.4° | 18.4° |
| H671 | C67 | C70 | H703 | 138.4° | 138.4° |
| H672 | C67 | C70 | H701 | 137.2° | 137.2° |
| H672 | C67 | C70 | H702 | 102.8° | 102.8° |
| H672 | C67 | C70 | H703 | 17.2° | 17.2° |
| H701 | C70 | H702 | H703 | 120.0° | 120.0° |
