VA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C42 | N06 | sing | 1.47Å | 1.47Å | |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C37 | C38 | doub | 1.39Å | 1.44Å | Aromatic |
| C37 | C36 | sing | 1.37Å | 1.36Å | Aromatic |
| C38 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C02 | sing | 1.53Å | 1.56Å | |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| C36 | C35 | doub | 1.40Å | 1.43Å | Aromatic |
| C08 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.58Å | |
| C30 | C29 | sing | 1.51Å | 1.62Å | |
| C30 | C31 | doub | 1.39Å | 1.45Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C29 | N28 | sing | 1.46Å | 1.55Å | |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C35 | C31 | sing | 1.40Å | 1.47Å | Aromatic |
| C35 | N34 | sing | 1.36Å | 1.46Å | Aromatic |
| C31 | N32 | sing | 1.38Å | 1.46Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | N22 | sing | 1.47Å | 1.50Å | |
| N28 | C27 | sing | 1.39Å | 1.44Å | |
| C10 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C39 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
| C39 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| N34 | C33 | doub | 1.30Å | 1.35Å | Aromatic |
| C27 | N26 | sing | 1.33Å | 1.39Å | Aromatic |
| N22 | C23 | sing | 1.39Å | 1.46Å | |
| N22 | C21 | sing | 1.47Å | 1.51Å | |
| N32 | C33 | sing | 1.36Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | O41 | doub | 1.22Å | 1.24Å | |
| C14 | N15 | sing | 1.35Å | 1.39Å | |
| C23 | N24 | doub | 1.33Å | 1.37Å | Aromatic |
| C21 | C17 | sing | 1.53Å | 1.58Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| N26 | C25 | doub | 1.32Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | O40 | sing | 1.43Å | 1.37Å | |
| N24 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| N28 | H41 | sing | 0.97Å | 1.00Å | |
| N32 | H42 | sing | 0.97Å | 1.00Å | |
| O40 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | N06 | 112.3° | 109.5° |
| C42 | C43 | C02 | 117.2° | 109.2° |
| C43 | C42 | H35 | 108.8° | 109.4° |
| C43 | C42 | H36 | 108.8° | 109.5° |
| C42 | C43 | H37 | 107.5° | 109.5° |
| C42 | C43 | H38 | 107.5° | 109.5° |
| C42 | N06 | C07 | 113.0° | 111.0° |
| C42 | N06 | C05 | 108.7° | 111.2° |
| N06 | C42 | H35 | 108.8° | 109.5° |
| N06 | C42 | H36 | 108.8° | 109.5° |
| N06 | C07 | C08 | 109.5° | 109.5° |
| C07 | N06 | C05 | 109.0° | 111.0° |
| N06 | C07 | H16 | 109.4° | 109.5° |
| N06 | C07 | H17 | 109.5° | 109.5° |
| C07 | C08 | C11 | 121.2° | 119.8° |
| C07 | C08 | C09 | 124.5° | 119.8° |
| C08 | C07 | H16 | 109.5° | 109.4° |
| C08 | C07 | H17 | 109.4° | 109.4° |
| C38 | C37 | C36 | 119.2° | 120.6° |
| C37 | C38 | C30 | 123.4° | 120.5° |
| C38 | C37 | H32 | 120.4° | 119.7° |
| C37 | C38 | H33 | 118.3° | 119.8° |
| C37 | C36 | C35 | 122.2° | 119.9° |
| C37 | C36 | H31 | 118.9° | 120.0° |
| C36 | C37 | H32 | 120.4° | 119.7° |
| C38 | C30 | C29 | 122.8° | 120.1° |
| C38 | C30 | C31 | 116.7° | 119.7° |
| C30 | C38 | H33 | 118.3° | 119.8° |
| C43 | C02 | C01 | 112.4° | 109.5° |
| C43 | C02 | C04 | 110.9° | 109.2° |
| C43 | C02 | C03 | 107.8° | 109.5° |
| C02 | C43 | H37 | 107.5° | 109.5° |
| C02 | C43 | H38 | 107.5° | 109.5° |
| N06 | C05 | C04 | 117.7° | 109.5° |
| N06 | C05 | H14 | 107.4° | 109.5° |
| N06 | C05 | H15 | 107.4° | 109.5° |
| C36 | C35 | C31 | 117.5° | 119.5° |
| C36 | C35 | N34 | 134.0° | 133.6° |
| C35 | C36 | H31 | 118.9° | 120.1° |
| C11 | C08 | C09 | 114.3° | 120.3° |
| C08 | C11 | C12 | 123.4° | 120.1° |
| C08 | C11 | H19 | 118.3° | 119.9° |
| C08 | C09 | C10 | 122.3° | 120.1° |
| C08 | C09 | H18 | 118.8° | 120.0° |
| C11 | C12 | C13 | 122.5° | 119.9° |
| C12 | C11 | H19 | 118.3° | 120.0° |
| C11 | C12 | H20 | 118.8° | 120.0° |
| C01 | C02 | C04 | 107.4° | 109.5° |
| C01 | C02 | C03 | 111.8° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C29 | C30 | C31 | 120.4° | 120.2° |
| C30 | C29 | N28 | 122.2° | 109.5° |
| C30 | C29 | H28 | 106.2° | 109.5° |
| C30 | C29 | H29 | 106.2° | 109.4° |
| C30 | C31 | C35 | 120.9° | 119.8° |
| C30 | C31 | N32 | 135.3° | 134.2° |
| C04 | C02 | C03 | 106.4° | 109.5° |
| C02 | C04 | C05 | 114.8° | 109.3° |
| C02 | C04 | H12 | 108.1° | 109.5° |
| C02 | C04 | H13 | 108.1° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C05 | C04 | H12 | 108.1° | 109.5° |
| C05 | C04 | H13 | 108.1° | 109.5° |
| C04 | C05 | H14 | 107.4° | 109.4° |
| C04 | C05 | H15 | 107.4° | 109.5° |
| C29 | N28 | C27 | 129.4° | 120.0° |
| N28 | C29 | H28 | 106.2° | 109.5° |
| N28 | C29 | H29 | 106.2° | 109.5° |
| C29 | N28 | H41 | 104.3° | 120.0° |
| C09 | C10 | C13 | 123.6° | 119.8° |
| C09 | C10 | H1 | 118.2° | 120.1° |
| C10 | C09 | H18 | 118.9° | 119.9° |
| C12 | C13 | C10 | 113.9° | 119.7° |
| C12 | C13 | C14 | 123.3° | 120.2° |
| C13 | C12 | H20 | 118.7° | 120.1° |
| C31 | C35 | N34 | 108.5° | 106.9° |
| C35 | C31 | N32 | 103.7° | 106.0° |
| C35 | N34 | C33 | 108.2° | 109.6° |
| C31 | N32 | C33 | 109.1° | 107.3° |
| C31 | N32 | H42 | 125.4° | 126.3° |
| C19 | C20 | N22 | 117.2° | 109.5° |
| C20 | C19 | C18 | 113.9° | 109.3° |
| C19 | C20 | H2 | 107.5° | 109.4° |
| C19 | C20 | H3 | 107.5° | 109.4° |
| C20 | C19 | H25 | 108.4° | 109.5° |
| C20 | C19 | H26 | 108.3° | 109.5° |
| C20 | N22 | C23 | 120.8° | 111.0° |
| C20 | N22 | C21 | 109.8° | 111.2° |
| N22 | C20 | H2 | 107.5° | 109.5° |
| N22 | C20 | H3 | 107.5° | 109.4° |
| N28 | C27 | C39 | 121.0° | 120.5° |
| N28 | C27 | N26 | 122.6° | 120.5° |
| C27 | N28 | H41 | 104.3° | 120.0° |
| C10 | C13 | C14 | 122.6° | 120.1° |
| C13 | C10 | H1 | 118.2° | 120.1° |
| C13 | C14 | O41 | 120.5° | 120.0° |
| C13 | C14 | N15 | 124.6° | 120.0° |
| C19 | C18 | C17 | 112.0° | 109.2° |
| C19 | C18 | H23 | 108.8° | 109.6° |
| C19 | C18 | H24 | 108.8° | 109.6° |
| C18 | C19 | H25 | 108.3° | 109.5° |
| C18 | C19 | H26 | 108.3° | 109.5° |
| C27 | C39 | C23 | 123.3° | 118.2° |
| C39 | C27 | N26 | 116.4° | 119.0° |
| C27 | C39 | H34 | 118.3° | 120.9° |
| C39 | C23 | N22 | 121.0° | 120.4° |
| C39 | C23 | N24 | 117.5° | 119.1° |
| C23 | C39 | H34 | 118.4° | 120.9° |
| N34 | C33 | N32 | 110.4° | 110.1° |
| N34 | C33 | H30 | 124.8° | 125.0° |
| C27 | N26 | C25 | 116.8° | 120.8° |
| C23 | N22 | C21 | 124.4° | 111.1° |
| N22 | C23 | N24 | 121.5° | 120.5° |
| N22 | C21 | C17 | 120.6° | 109.6° |
| N22 | C21 | H4 | 106.6° | 109.4° |
| N22 | C21 | H5 | 106.6° | 109.5° |
| N32 | C33 | H30 | 124.8° | 124.9° |
| C33 | N32 | H42 | 125.4° | 126.3° |
| C18 | C17 | C21 | 105.0° | 109.3° |
| C18 | C17 | C16 | 110.3° | 109.5° |
| C18 | C17 | O40 | 111.9° | 109.5° |
| C17 | C18 | H23 | 108.8° | 109.5° |
| C17 | C18 | H24 | 108.8° | 109.5° |
| O41 | C14 | N15 | 114.8° | 120.0° |
| C14 | N15 | C16 | 124.4° | 120.0° |
| C14 | N15 | H40 | 117.8° | 120.0° |
| C23 | N24 | C25 | 117.0° | 120.8° |
| C21 | C17 | C16 | 107.2° | 109.5° |
| C21 | C17 | O40 | 116.5° | 109.5° |
| C17 | C21 | H4 | 106.6° | 109.5° |
| C17 | C21 | H5 | 106.6° | 109.5° |
| N15 | C16 | C17 | 110.1° | 109.4° |
| N15 | C16 | H21 | 109.3° | 109.5° |
| N15 | C16 | H22 | 109.3° | 109.4° |
| C16 | N15 | H40 | 117.8° | 120.0° |
| N26 | C25 | N24 | 128.9° | 122.0° |
| N26 | C25 | H27 | 115.5° | 119.0° |
| C16 | C17 | O40 | 105.8° | 109.6° |
| C17 | C16 | H21 | 109.3° | 109.5° |
| C17 | C16 | H22 | 109.3° | 109.5° |
| C17 | O40 | H44 | 109.5° | 114.0° |
| N24 | C25 | H27 | 115.6° | 119.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.4° | 109.4° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H14 | C05 | H15 | 109.4° | 109.5° |
| H16 | C07 | H17 | 109.4° | 109.4° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.4° | 109.4° |
| H37 | C43 | H38 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | N06 | H35 | 120.4° | 120.0° |
| C43 | C42 | N06 | H36 | 120.4° | 120.1° |
| C43 | C42 | N06 | C07 | 174.1° | 174.1° |
| C42 | C43 | C02 | H37 | 121.1° | 119.9° |
| C42 | C43 | C02 | H38 | 121.1° | 119.9° |
| C43 | C42 | N06 | C05 | 52.9° | 61.8° |
| C42 | C43 | C02 | C01 | 82.0° | 62.3° |
| C42 | C43 | C02 | C04 | 38.2° | 57.7° |
| C42 | C43 | C02 | C03 | 154.3° | 177.6° |
| C43 | C42 | H35 | H36 | 118.7° | 120.0° |
| C42 | C43 | H37 | H38 | 116.5° | 120.1° |
| C42 | N06 | C07 | C05 | 121.0° | 124.2° |
| C42 | N06 | C07 | C08 | 166.0° | 170.0° |
| N06 | C42 | C43 | C02 | 47.1° | 59.2° |
| C42 | N06 | C05 | C04 | 57.0° | 61.7° |
| C42 | N06 | C05 | H14 | 178.2° | 58.3° |
| C42 | N06 | C05 | H15 | 64.2° | 178.3° |
| C42 | N06 | C07 | H16 | 74.0° | 70.0° |
| C42 | N06 | C07 | H17 | 46.0° | 50.0° |
| N06 | C42 | H35 | H36 | 118.7° | 120.0° |
| N06 | C42 | C43 | H37 | 168.2° | 60.8° |
| N06 | C42 | C43 | H38 | 73.9° | 179.1° |
| N06 | C07 | C08 | H16 | 120.0° | 120.0° |
| N06 | C07 | C08 | H17 | 120.0° | 120.1° |
| N06 | C07 | C08 | C11 | 118.2° | 90.0° |
| N06 | C07 | C08 | C09 | 61.9° | 90.8° |
| C07 | N06 | C05 | C04 | 179.4° | 174.2° |
| C07 | N06 | C05 | H14 | 58.2° | 65.9° |
| C07 | N06 | C05 | H15 | 59.4° | 54.1° |
| N06 | C07 | H16 | H17 | 120.0° | 120.0° |
| C07 | N06 | C42 | H35 | 65.5° | 54.1° |
| C07 | N06 | C42 | H36 | 53.7° | 65.8° |
| C08 | C07 | N06 | C05 | 45.0° | 65.8° |
| C07 | C08 | C11 | C09 | 179.9° | 179.2° |
| C07 | C08 | C11 | C12 | 178.2° | 179.9° |
| C07 | C08 | C09 | C10 | 178.7° | 179.8° |
| C08 | C07 | H16 | H17 | 120.0° | 119.9° |
| C07 | C08 | C09 | H18 | 1.3° | 0.3° |
| C07 | C08 | C11 | H19 | 1.8° | 0.1° |
| C38 | C37 | C36 | H32 | 180.0° | 179.6° |
| C37 | C38 | C30 | H33 | 180.0° | 179.6° |
| C38 | C37 | C36 | C35 | 0.3° | 0.2° |
| C37 | C38 | C30 | C29 | 179.6° | 179.8° |
| C37 | C38 | C30 | C31 | 0.1° | 0.4° |
| C38 | C37 | C36 | H31 | 179.7° | 179.8° |
| C36 | C37 | C38 | C30 | 0.2° | 0.4° |
| C37 | C36 | C35 | H31 | 180.0° | 180.0° |
| C37 | C36 | C35 | C31 | 0.1° | 0.0° |
| C37 | C36 | C35 | N34 | 179.4° | 179.9° |
| C36 | C37 | C38 | H33 | 179.8° | 180.0° |
| C38 | C30 | C29 | C31 | 179.5° | 179.8° |
| C38 | C30 | C29 | N28 | 174.8° | 100.3° |
| C38 | C30 | C31 | C35 | 0.0° | 0.2° |
| C38 | C30 | C31 | N32 | 179.9° | 179.7° |
| C38 | C30 | C29 | H28 | 53.1° | 19.7° |
| C38 | C30 | C29 | H29 | 63.5° | 139.7° |
| C30 | C38 | C37 | H32 | 179.8° | 180.0° |
| C43 | C02 | C01 | C04 | 122.2° | 119.7° |
| C43 | C02 | C01 | C03 | 121.4° | 120.1° |
| C43 | C02 | C04 | C03 | 117.0° | 119.9° |
| C43 | C02 | C04 | C05 | 37.8° | 57.6° |
| C43 | C02 | C01 | H6 | 180.0° | 59.7° |
| C43 | C02 | C01 | H7 | 60.0° | 60.2° |
| C43 | C02 | C01 | H8 | 60.0° | 179.7° |
| C43 | C02 | C03 | H9 | 180.0° | 60.2° |
| C43 | C02 | C03 | H10 | 60.0° | 59.8° |
| C43 | C02 | C03 | H11 | 60.0° | 179.9° |
| C43 | C02 | C04 | H12 | 158.7° | 177.6° |
| C43 | C02 | C04 | H13 | 82.9° | 62.3° |
| C02 | C43 | C42 | H35 | 167.6° | 179.2° |
| C02 | C43 | C42 | H36 | 73.3° | 60.9° |
| C02 | C43 | H37 | H38 | 116.5° | 120.1° |
| N06 | C05 | C04 | C02 | 50.9° | 59.1° |
| N06 | C05 | C04 | H14 | 121.2° | 120.0° |
| N06 | C05 | C04 | H15 | 121.2° | 120.0° |
| N06 | C05 | C04 | H12 | 171.7° | 179.1° |
| N06 | C05 | C04 | H13 | 69.8° | 60.8° |
| N06 | C05 | H14 | H15 | 116.3° | 120.0° |
| C05 | N06 | C07 | H16 | 165.1° | 54.2° |
| C05 | N06 | C07 | H17 | 75.0° | 174.2° |
| C05 | N06 | C42 | H35 | 173.4° | 178.2° |
| C05 | N06 | C42 | H36 | 67.5° | 58.3° |
| C36 | C35 | C31 | C30 | 0.0° | 0.0° |
| C36 | C35 | C31 | N34 | 179.6° | 180.0° |
| C36 | C35 | C31 | N32 | 179.9° | 180.0° |
| C36 | C35 | N34 | C33 | 179.8° | 180.0° |
| C35 | C36 | C37 | H32 | 179.8° | 179.8° |
| C08 | C11 | C12 | H19 | 180.0° | 180.0° |
| C11 | C08 | C09 | C10 | 1.4° | 0.6° |
| C08 | C11 | C12 | C13 | 0.5° | 0.5° |
| C11 | C08 | C07 | H16 | 121.8° | 150.0° |
| C11 | C08 | C07 | H17 | 1.8° | 30.1° |
| C11 | C08 | C09 | H18 | 178.6° | 179.5° |
| C08 | C11 | C12 | H20 | 179.5° | 180.0° |
| C09 | C08 | C11 | C12 | 1.9° | 0.8° |
| C08 | C09 | C10 | H18 | 180.0° | 179.9° |
| C08 | C09 | C10 | C13 | 0.5° | 0.1° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C07 | H16 | 58.1° | 29.3° |
| C09 | C08 | C07 | H17 | 178.0° | 149.2° |
| C09 | C08 | C11 | H19 | 178.1° | 179.2° |
| C11 | C12 | C13 | H20 | 180.0° | 179.5° |
| C11 | C12 | C13 | C10 | 1.4° | 0.0° |
| C11 | C12 | C13 | C14 | 176.5° | 180.0° |
| C01 | C02 | C04 | C03 | 119.9° | 120.1° |
| C01 | C02 | C04 | C05 | 85.3° | 62.3° |
| C02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 55.9° | 60.0° |
| C01 | C02 | C03 | H10 | 64.1° | 180.0° |
| C01 | C02 | C03 | H11 | 175.9° | 60.0° |
| C01 | C02 | C04 | H12 | 35.5° | 57.7° |
| C01 | C02 | C04 | H13 | 153.9° | 177.7° |
| C01 | C02 | C43 | H37 | 39.1° | 177.8° |
| C01 | C02 | C43 | H38 | 156.9° | 57.6° |
| C30 | C29 | N28 | H28 | 121.8° | 120.1° |
| C30 | C29 | N28 | H29 | 121.7° | 120.0° |
| C29 | C30 | C31 | C35 | 179.5° | 180.0° |
| C29 | C30 | C31 | N32 | 0.6° | 0.1° |
| C30 | C29 | N28 | C27 | 79.0° | 180.0° |
| C30 | C29 | H28 | H29 | 114.3° | 120.0° |
| C29 | C30 | C38 | H33 | 0.4° | 0.2° |
| C30 | C29 | N28 | H41 | 158.4° | 0.1° |
| C31 | C30 | C29 | N28 | 5.7° | 79.9° |
| C30 | C31 | C35 | N32 | 180.0° | 180.0° |
| C30 | C31 | C35 | N34 | 179.6° | 180.0° |
| C30 | C31 | N32 | C33 | 179.7° | 180.0° |
| C31 | C30 | C29 | H28 | 127.4° | 160.0° |
| C31 | C30 | C29 | H29 | 116.1° | 40.1° |
| C31 | C30 | C38 | H33 | 179.9° | 180.0° |
| C30 | C31 | N32 | H42 | 0.3° | 0.1° |
| C02 | C04 | C05 | H12 | 120.8° | 120.0° |
| C02 | C04 | C05 | H13 | 120.8° | 119.9° |
| C04 | C02 | C01 | H6 | 57.8° | 60.0° |
| C04 | C02 | C01 | H7 | 62.3° | 180.0° |
| C04 | C02 | C01 | H8 | 177.7° | 60.0° |
| C04 | C02 | C03 | H9 | 61.0° | 179.9° |
| C04 | C02 | C03 | H10 | 179.0° | 59.9° |
| C04 | C02 | C03 | H11 | 59.0° | 60.2° |
| C02 | C04 | H12 | H13 | 117.5° | 120.0° |
| C02 | C04 | C05 | H14 | 172.1° | 60.9° |
| C02 | C04 | C05 | H15 | 70.3° | 179.2° |
| C04 | C02 | C43 | H37 | 159.3° | 62.3° |
| C04 | C02 | C43 | H38 | 82.9° | 177.6° |
| C03 | C02 | C04 | C05 | 154.8° | 177.6° |
| C03 | C02 | C01 | H6 | 58.5° | 179.8° |
| C03 | C02 | C01 | H7 | 178.6° | 59.9° |
| C03 | C02 | C01 | H8 | 61.4° | 60.1° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C03 | C02 | C04 | H12 | 84.4° | 62.4° |
| C03 | C02 | C04 | H13 | 34.0° | 57.6° |
| C03 | C02 | C43 | H37 | 84.6° | 57.7° |
| C03 | C02 | C43 | H38 | 33.2° | 62.5° |
| C05 | C04 | H12 | H13 | 117.6° | 120.2° |
| C04 | C05 | H14 | H15 | 116.2° | 120.0° |
| C29 | N28 | C27 | H41 | 122.6° | 179.9° |
| C29 | N28 | C27 | C39 | 10.2° | 0.1° |
| C29 | N28 | C27 | N26 | 169.9° | 180.0° |
| N28 | C29 | H28 | H29 | 114.2° | 120.0° |
| C09 | C10 | C13 | C12 | 1.9° | 0.2° |
| C09 | C10 | C13 | H1 | 180.0° | 179.8° |
| C09 | C10 | C13 | C14 | 177.0° | 179.8° |
| C12 | C13 | C10 | C14 | 175.1° | 179.9° |
| C12 | C13 | C14 | O41 | 14.4° | 180.0° |
| C12 | C13 | C14 | N15 | 161.9° | 0.1° |
| C12 | C13 | C10 | H1 | 178.1° | 180.0° |
| C13 | C12 | C11 | H19 | 179.5° | 179.5° |
| C31 | C35 | N34 | C33 | 0.3° | 0.0° |
| C35 | C31 | N32 | C33 | 0.3° | 0.0° |
| C31 | C35 | C36 | H31 | 179.8° | 180.0° |
| C35 | C31 | N32 | H42 | 179.7° | 180.0° |
| N34 | C35 | C31 | N32 | 0.3° | 0.0° |
| C35 | N34 | C33 | N32 | 0.1° | 0.0° |
| C35 | N34 | C33 | H30 | 179.8° | 179.9° |
| N34 | C35 | C36 | H31 | 0.7° | 0.1° |
| C31 | N32 | C33 | N34 | 0.1° | 0.0° |
| C31 | N32 | C33 | H42 | 180.0° | 179.9° |
| C31 | N32 | C33 | H30 | 179.9° | 179.9° |
| C19 | C20 | N22 | H2 | 121.1° | 120.0° |
| C19 | C20 | N22 | H3 | 121.1° | 120.0° |
| C20 | C19 | C18 | H25 | 120.7° | 120.0° |
| C20 | C19 | C18 | H26 | 120.7° | 120.0° |
| C19 | C20 | N22 | C23 | 119.1° | 174.2° |
| C19 | C20 | N22 | C21 | 36.9° | 61.7° |
| C20 | C19 | C18 | C17 | 55.5° | 57.7° |
| C19 | C20 | H2 | H3 | 116.4° | 119.9° |
| C20 | C19 | C18 | H23 | 175.9° | 177.6° |
| C20 | C19 | C18 | H24 | 64.8° | 62.3° |
| C20 | C19 | H25 | H26 | 118.0° | 120.1° |
| N22 | C20 | C19 | C18 | 44.8° | 59.2° |
| C20 | N22 | C23 | C39 | 34.2° | 56.4° |
| C20 | N22 | C23 | C21 | 152.4° | 124.2° |
| C20 | N22 | C23 | N24 | 146.5° | 124.0° |
| C20 | N22 | C21 | C17 | 44.8° | 61.7° |
| N22 | C20 | H2 | H3 | 116.5° | 120.0° |
| C20 | N22 | C21 | H4 | 76.8° | 58.3° |
| C20 | N22 | C21 | H5 | 166.4° | 178.2° |
| N22 | C20 | C19 | H25 | 75.8° | 179.1° |
| N22 | C20 | C19 | H26 | 165.5° | 60.8° |
| N28 | C27 | C39 | N26 | 179.9° | 179.9° |
| N28 | C27 | C39 | C23 | 180.0° | 180.0° |
| N28 | C27 | N26 | C25 | 180.0° | 180.0° |
| C27 | N28 | C29 | H28 | 42.8° | 59.9° |
| C27 | N28 | C29 | H29 | 159.2° | 60.1° |
| N28 | C27 | C39 | H34 | 0.0° | 0.1° |
| C10 | C13 | C14 | O41 | 170.9° | 0.0° |
| C10 | C13 | C14 | N15 | 12.7° | 180.0° |
| C13 | C10 | C09 | H18 | 179.5° | 180.0° |
| C10 | C13 | C12 | H20 | 178.6° | 179.5° |
| C13 | C14 | O41 | N15 | 176.7° | 179.9° |
| C13 | C14 | N15 | C16 | 177.4° | 180.0° |
| C14 | C13 | C10 | H1 | 3.0° | 0.0° |
| C14 | C13 | C12 | H20 | 3.5° | 0.5° |
| C13 | C14 | N15 | H40 | 2.6° | 0.1° |
| C19 | C18 | C17 | H23 | 120.4° | 119.9° |
| C19 | C18 | C17 | H24 | 120.4° | 120.0° |
| C19 | C18 | C17 | C21 | 56.6° | 57.7° |
| C19 | C18 | C17 | C16 | 171.8° | 62.2° |
| C19 | C18 | C17 | O40 | 70.7° | 177.6° |
| C18 | C19 | C20 | H2 | 76.3° | 179.2° |
| C18 | C19 | C20 | H3 | 166.0° | 60.8° |
| C19 | C18 | H23 | H24 | 118.8° | 120.3° |
| C18 | C19 | H25 | H26 | 118.0° | 120.1° |
| C27 | C39 | C23 | H34 | 180.0° | 179.9° |
| C27 | C39 | C23 | N22 | 178.9° | 179.8° |
| C27 | C39 | C23 | N24 | 0.5° | 0.1° |
| C39 | C27 | N26 | C25 | 0.1° | 0.1° |
| C39 | C27 | N28 | H41 | 112.4° | 180.0° |
| C23 | C39 | C27 | N26 | 0.2° | 0.1° |
| C39 | C23 | N22 | N24 | 179.4° | 179.6° |
| C39 | C23 | N22 | C21 | 173.4° | 179.4° |
| C39 | C23 | N24 | C25 | 1.1° | 0.1° |
| N34 | C33 | N32 | H30 | 180.0° | 179.9° |
| N34 | C33 | N32 | H42 | 179.9° | 180.0° |
| C27 | N26 | C25 | N24 | 0.6° | 0.0° |
| C27 | N26 | C25 | H27 | 179.4° | 180.0° |
| N26 | C27 | C39 | H34 | 179.8° | 180.0° |
| N26 | C27 | N28 | H41 | 67.5° | 0.1° |
| C23 | N22 | C21 | C17 | 110.2° | 174.2° |
| N22 | C23 | N24 | C25 | 178.3° | 179.7° |
| C23 | N22 | C20 | H2 | 119.7° | 54.2° |
| C23 | N22 | C20 | H3 | 2.0° | 65.8° |
| C23 | N22 | C21 | H4 | 128.2° | 65.8° |
| C23 | N22 | C21 | H5 | 11.3° | 54.1° |
| N22 | C23 | C39 | H34 | 1.1° | 0.3° |
| N22 | C21 | C17 | C18 | 54.7° | 59.2° |
| C21 | N22 | C23 | N24 | 6.0° | 0.2° |
| N22 | C21 | C17 | H4 | 121.6° | 120.0° |
| N22 | C21 | C17 | H5 | 121.5° | 120.1° |
| N22 | C21 | C17 | C16 | 172.0° | 60.7° |
| N22 | C21 | C17 | O40 | 69.8° | 179.1° |
| C21 | N22 | C20 | H2 | 84.2° | 178.3° |
| C21 | N22 | C20 | H3 | 158.0° | 58.3° |
| N22 | C21 | H4 | H5 | 115.0° | 119.9° |
| C18 | C17 | C21 | C16 | 117.3° | 119.9° |
| C18 | C17 | C21 | O40 | 124.5° | 120.0° |
| C18 | C17 | C16 | N15 | 62.6° | 55.2° |
| C18 | C17 | C16 | O40 | 121.2° | 120.1° |
| C18 | C17 | C21 | H4 | 66.9° | 60.8° |
| C18 | C17 | C21 | H5 | 176.2° | 179.2° |
| C18 | C17 | C16 | H21 | 57.5° | 64.9° |
| C18 | C17 | C16 | H22 | 177.3° | 175.1° |
| C17 | C18 | H23 | H24 | 118.8° | 120.1° |
| C17 | C18 | C19 | H25 | 65.1° | 177.6° |
| C17 | C18 | C19 | H26 | 176.2° | 62.3° |
| C18 | C17 | O40 | H44 | 180.0° | 60.1° |
| O41 | C14 | N15 | C16 | 0.8° | 0.0° |
| O41 | C14 | N15 | H40 | 179.2° | 180.0° |
| C14 | N15 | C16 | H40 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 101.3° | 179.9° |
| C14 | N15 | C16 | H21 | 18.8° | 60.0° |
| C14 | N15 | C16 | H22 | 138.6° | 60.0° |
| C23 | N24 | C25 | N26 | 1.2° | 0.0° |
| C23 | N24 | C25 | H27 | 178.7° | 180.0° |
| N24 | C23 | C39 | H34 | 179.6° | 180.0° |
| C21 | C17 | C16 | N15 | 51.2° | 174.9° |
| C21 | C17 | C16 | O40 | 125.0° | 120.1° |
| C17 | C21 | H4 | H5 | 115.0° | 120.0° |
| C21 | C17 | C16 | H21 | 171.3° | 54.9° |
| C21 | C17 | C16 | H22 | 68.9° | 65.1° |
| C21 | C17 | C18 | H23 | 177.0° | 177.6° |
| C21 | C17 | C18 | H24 | 63.8° | 62.4° |
| C21 | C17 | O40 | H44 | 59.1° | 179.9° |
| N15 | C16 | C17 | H21 | 120.1° | 120.0° |
| N15 | C16 | C17 | H22 | 120.1° | 119.9° |
| N15 | C16 | C17 | O40 | 176.2° | 65.0° |
| N15 | C16 | H21 | H22 | 119.7° | 120.0° |
| N26 | C25 | N24 | H27 | 180.0° | 180.0° |
| C16 | C17 | C21 | H4 | 50.4° | 179.3° |
| C16 | C17 | C21 | H5 | 66.4° | 59.3° |
| C17 | C16 | H21 | H22 | 119.7° | 120.0° |
| C16 | C17 | C18 | H23 | 67.8° | 57.7° |
| C16 | C17 | C18 | H24 | 51.4° | 177.7° |
| C17 | C16 | N15 | H40 | 78.7° | 0.0° |
| C16 | C17 | O40 | H44 | 59.8° | 60.0° |
| O40 | C17 | C21 | H4 | 168.6° | 59.1° |
| O40 | C17 | C21 | H5 | 51.8° | 60.8° |
| O40 | C17 | C16 | H21 | 63.7° | 175.0° |
| O40 | C17 | C16 | H22 | 56.1° | 55.0° |
| O40 | C17 | C18 | H23 | 49.7° | 62.5° |
| O40 | C17 | C18 | H24 | 168.9° | 57.6° |
| H1 | C10 | C09 | H18 | 0.5° | 0.2° |
| H2 | C20 | C19 | H25 | 163.0° | 60.8° |
| H2 | C20 | C19 | H26 | 44.3° | 59.3° |
| H3 | C20 | C19 | H25 | 45.3° | 59.1° |
| H3 | C20 | C19 | H26 | 73.4° | 179.2° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | C05 | H14 | 67.1° | 59.1° |
| H12 | C04 | C05 | H15 | 50.5° | 60.9° |
| H13 | C04 | C05 | H14 | 51.4° | 179.2° |
| H13 | C04 | C05 | H15 | 169.0° | 59.3° |
| H19 | C11 | C12 | H20 | 0.5° | 0.0° |
| H21 | C16 | N15 | H40 | 161.2° | 120.0° |
| H22 | C16 | N15 | H40 | 41.4° | 120.0° |
| H23 | C18 | C19 | H25 | 55.3° | 62.5° |
| H23 | C18 | C19 | H26 | 63.4° | 57.6° |
| H24 | C18 | C19 | H25 | 174.5° | 57.7° |
| H24 | C18 | C19 | H26 | 55.8° | 177.8° |
| H28 | C29 | N28 | H41 | 79.9° | 120.0° |
| H29 | C29 | N28 | H41 | 36.6° | 120.0° |
| H30 | C33 | N32 | H42 | 0.1° | 0.0° |
| H31 | C36 | C37 | H32 | 0.3° | 0.2° |
| H32 | C37 | C38 | H33 | 0.2° | 0.4° |
| H35 | C42 | C43 | H37 | 71.3° | 59.3° |
| H35 | C42 | C43 | H38 | 46.5° | 60.9° |
| H36 | C42 | C43 | H37 | 47.8° | 179.2° |
| H36 | C42 | C43 | H38 | 165.6° | 59.1° |
