39V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C31 | sing | 1.51Å | 1.57Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C37 | C39 | sing | 1.53Å | 1.50Å | |
| C31 | O32 | doub | 1.21Å | 1.31Å | |
| C31 | C29 | sing | 1.51Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C41 | sing | 1.51Å | 1.39Å | |
| C39 | O40 | sing | 1.43Å | 1.41Å | |
| C29 | N28 | sing | 1.47Å | 1.45Å | |
| C42 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C46 | doub | 1.38Å | 1.37Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.37Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.33Å | |
| C44 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | O27 | doub | 1.21Å | 1.20Å | |
| C26 | C16 | sing | 1.51Å | 1.49Å | |
| C63 | C62 | doub | 1.37Å | 1.37Å | Aromatic |
| C63 | C67 | sing | 1.40Å | 1.29Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| C62 | C61 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C66 | sing | 1.51Å | 1.51Å | |
| C67 | C66 | sing | 1.47Å | 1.30Å | Aromatic |
| C67 | C68 | doub | 1.41Å | 1.30Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.32Å | |
| C66 | C65 | doub | 1.34Å | 1.30Å | Aromatic |
| C61 | C60 | doub | 1.38Å | 1.35Å | Aromatic |
| C13 | O14 | doub | 1.21Å | 1.20Å | |
| C13 | C11 | sing | 1.51Å | 1.50Å | |
| C68 | C60 | sing | 1.39Å | 1.30Å | Aromatic |
| C68 | N69 | sing | 1.38Å | 1.30Å | Aromatic |
| C65 | N69 | sing | 1.37Å | 1.31Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.31Å | |
| O3 | C2 | doub | 1.22Å | 1.20Å | |
| C2 | C50 | sing | 1.46Å | 1.33Å | |
| C50 | C51 | sing | 1.51Å | 1.36Å | |
| C50 | C58 | doub | 1.34Å | 1.31Å | |
| C51 | C52 | sing | 1.51Å | 1.38Å | |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| C58 | C57 | sing | 1.47Å | 1.31Å | |
| C52 | C57 | doub | 1.40Å | 1.30Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.32Å | Aromatic |
| C57 | C56 | sing | 1.40Å | 1.32Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | C55 | doub | 1.38Å | 1.37Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C59 | H4 | sing | 1.09Å | 1.10Å | |
| C59 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.09Å | 1.10Å | |
| C56 | H7 | sing | 1.08Å | 1.08Å | |
| C55 | H8 | sing | 1.08Å | 1.08Å | |
| C54 | H9 | sing | 1.08Å | 1.08Å | |
| C53 | H10 | sing | 1.08Å | 1.08Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C63 | H19 | sing | 1.08Å | 1.08Å | |
| C62 | H20 | sing | 1.08Å | 1.08Å | |
| C61 | H22 | sing | 1.08Å | 1.08Å | |
| C60 | H23 | sing | 1.08Å | 1.08Å | |
| C65 | H24 | sing | 1.08Å | 1.08Å | |
| N28 | H25 | sing | 0.97Å | 1.00Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.08Å | 1.08Å | |
| C45 | H30 | sing | 1.08Å | 1.08Å | |
| C44 | H31 | sing | 1.08Å | 1.08Å | |
| C43 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| O40 | H42 | sing | 0.97Å | 0.95Å | |
| N69 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C37 | C38 | 111.1° | 109.5° |
| C31 | C37 | C39 | 111.0° | 109.5° |
| C37 | C31 | O32 | 109.5° | 120.0° |
| C37 | C31 | C29 | 118.3° | 120.0° |
| C31 | C37 | H36 | 108.6° | 109.5° |
| C38 | C37 | C39 | 107.3° | 109.5° |
| C38 | C37 | H36 | 109.4° | 109.4° |
| C37 | C38 | H37 | 109.5° | 109.5° |
| C37 | C38 | H38 | 109.5° | 109.5° |
| C37 | C38 | H39 | 109.5° | 109.4° |
| C37 | C39 | O40 | 110.9° | 109.5° |
| C39 | C37 | H36 | 109.4° | 109.4° |
| C37 | C39 | H40 | 109.1° | 109.4° |
| C37 | C39 | H41 | 109.1° | 109.5° |
| O32 | C31 | C29 | 104.9° | 120.0° |
| C31 | C29 | C30 | 109.1° | 109.5° |
| C31 | C29 | N28 | 111.7° | 109.5° |
| C31 | C29 | H26 | 110.4° | 109.5° |
| C29 | C30 | C41 | 119.4° | 109.5° |
| C30 | C29 | N28 | 103.4° | 109.4° |
| C30 | C29 | H26 | 110.5° | 109.5° |
| C29 | C30 | H27 | 106.9° | 109.5° |
| C29 | C30 | H28 | 106.9° | 109.4° |
| C30 | C41 | C42 | 117.6° | 120.0° |
| C30 | C41 | C46 | 123.5° | 120.0° |
| C41 | C30 | H27 | 106.9° | 109.5° |
| C41 | C30 | H28 | 107.0° | 109.5° |
| O40 | C39 | H40 | 109.1° | 109.5° |
| O40 | C39 | H41 | 109.1° | 109.5° |
| C39 | O40 | H42 | 109.5° | 114.0° |
| C29 | N28 | C26 | 125.9° | 120.0° |
| C29 | N28 | H25 | 117.0° | 120.0° |
| N28 | C29 | H26 | 111.6° | 109.5° |
| C41 | C42 | C43 | 121.7° | 120.0° |
| C42 | C41 | C46 | 118.9° | 120.0° |
| C41 | C42 | H33 | 119.2° | 120.0° |
| C42 | C43 | C44 | 118.9° | 120.0° |
| C42 | C43 | H32 | 120.5° | 120.0° |
| C43 | C42 | H33 | 119.1° | 120.0° |
| C41 | C46 | C45 | 120.0° | 120.0° |
| C41 | C46 | H29 | 120.0° | 120.0° |
| C43 | C44 | C45 | 120.0° | 120.0° |
| C43 | C44 | H31 | 120.0° | 120.0° |
| C44 | C43 | H32 | 120.6° | 120.0° |
| C46 | C45 | C44 | 120.6° | 120.0° |
| C45 | C46 | H29 | 120.0° | 120.0° |
| C46 | C45 | H30 | 119.7° | 120.0° |
| N28 | C26 | O27 | 125.3° | 120.0° |
| N28 | C26 | C16 | 116.0° | 120.0° |
| C26 | N28 | H25 | 117.1° | 120.0° |
| C44 | C45 | H30 | 119.7° | 120.0° |
| C45 | C44 | H31 | 120.0° | 120.0° |
| O27 | C26 | C16 | 118.7° | 120.0° |
| C26 | C16 | C17 | 111.0° | 109.5° |
| C26 | C16 | N15 | 107.0° | 109.5° |
| C26 | C16 | H18 | 108.9° | 109.5° |
| C62 | C63 | C67 | 118.9° | 119.8° |
| C63 | C62 | C61 | 120.2° | 120.5° |
| C62 | C63 | H19 | 120.5° | 120.1° |
| C63 | C62 | H20 | 119.9° | 119.7° |
| C63 | C67 | C66 | 131.7° | 134.0° |
| C63 | C67 | C68 | 120.7° | 119.9° |
| C67 | C63 | H19 | 120.5° | 120.2° |
| C17 | C16 | N15 | 112.1° | 109.4° |
| C16 | C17 | C66 | 106.6° | 109.5° |
| C16 | C17 | H2 | 110.2° | 109.4° |
| C16 | C17 | H3 | 110.2° | 109.4° |
| C17 | C16 | H18 | 108.4° | 109.5° |
| C16 | N15 | C13 | 121.1° | 119.9° |
| C16 | N15 | H17 | 119.4° | 120.0° |
| N15 | C16 | H18 | 109.4° | 109.5° |
| C62 | C61 | C60 | 117.2° | 120.7° |
| C61 | C62 | H20 | 119.9° | 119.8° |
| C62 | C61 | H22 | 121.4° | 119.6° |
| C17 | C66 | C67 | 128.3° | 126.5° |
| C17 | C66 | C65 | 123.0° | 126.5° |
| C66 | C17 | H2 | 110.2° | 109.5° |
| C66 | C17 | H3 | 110.2° | 109.5° |
| C66 | C67 | C68 | 107.6° | 106.1° |
| C67 | C66 | C65 | 108.7° | 107.0° |
| C67 | C68 | C60 | 123.3° | 119.4° |
| C67 | C68 | N69 | 108.2° | 107.1° |
| N15 | C13 | O14 | 123.0° | 120.0° |
| N15 | C13 | C11 | 119.0° | 120.0° |
| C13 | N15 | H17 | 119.4° | 120.0° |
| C66 | C65 | N69 | 107.3° | 110.0° |
| C66 | C65 | H24 | 126.4° | 125.0° |
| C61 | C60 | C68 | 119.6° | 119.8° |
| C60 | C61 | H22 | 121.4° | 119.7° |
| C61 | C60 | H23 | 120.2° | 120.1° |
| O14 | C13 | C11 | 117.9° | 120.0° |
| C13 | C11 | C12 | 112.5° | 109.5° |
| C13 | C11 | N1 | 112.2° | 109.5° |
| C13 | C11 | H13 | 106.5° | 109.5° |
| C60 | C68 | N69 | 128.4° | 133.5° |
| C68 | C60 | H23 | 120.2° | 120.1° |
| C68 | N69 | C65 | 108.1° | 109.9° |
| C68 | N69 | H34 | 125.9° | 125.1° |
| N69 | C65 | H24 | 126.4° | 125.0° |
| C65 | N69 | H34 | 125.9° | 125.0° |
| C12 | C11 | N1 | 111.8° | 109.4° |
| C12 | C11 | H13 | 106.5° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | N1 | C2 | 125.8° | 120.0° |
| C11 | N1 | H1 | 117.1° | 120.0° |
| N1 | C11 | H13 | 106.9° | 109.5° |
| N1 | C2 | O3 | 122.0° | 120.0° |
| N1 | C2 | C50 | 117.5° | 120.0° |
| C2 | N1 | H1 | 117.1° | 120.0° |
| O3 | C2 | C50 | 120.5° | 120.0° |
| C2 | C50 | C51 | 126.6° | 126.1° |
| C2 | C50 | C58 | 126.2° | 126.0° |
| C51 | C50 | C58 | 107.2° | 108.0° |
| C50 | C51 | C52 | 105.1° | 105.5° |
| C50 | C51 | H11 | 110.6° | 110.4° |
| C50 | C51 | H12 | 110.5° | 110.1° |
| C50 | C58 | C59 | 126.6° | 124.7° |
| C50 | C58 | C57 | 111.1° | 110.7° |
| C51 | C52 | C57 | 109.0° | 106.6° |
| C51 | C52 | C53 | 132.0° | 133.0° |
| C52 | C51 | H11 | 110.5° | 110.3° |
| C52 | C51 | H12 | 110.6° | 110.2° |
| C59 | C58 | C57 | 122.3° | 124.6° |
| C58 | C59 | H4 | 109.5° | 109.5° |
| C58 | C59 | H5 | 109.5° | 109.5° |
| C58 | C59 | H6 | 109.5° | 109.5° |
| C58 | C57 | C52 | 107.6° | 109.1° |
| C58 | C57 | C56 | 131.6° | 131.7° |
| C57 | C52 | C53 | 119.0° | 120.4° |
| C52 | C57 | C56 | 120.8° | 119.2° |
| C52 | C53 | C54 | 123.1° | 120.0° |
| C52 | C53 | H10 | 118.5° | 120.0° |
| C57 | C56 | C55 | 122.6° | 119.8° |
| C57 | C56 | H7 | 118.7° | 120.1° |
| C53 | C54 | C55 | 117.6° | 120.2° |
| C53 | C54 | H9 | 121.2° | 120.0° |
| C54 | C53 | H10 | 118.5° | 120.0° |
| C56 | C55 | C54 | 117.0° | 120.4° |
| C55 | C56 | H7 | 118.7° | 120.1° |
| C56 | C55 | H8 | 121.5° | 119.7° |
| C54 | C55 | H8 | 121.5° | 119.9° |
| C55 | C54 | H9 | 121.2° | 119.9° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C59 | H5 | 109.4° | 109.4° |
| H4 | C59 | H6 | 109.5° | 109.4° |
| H5 | C59 | H6 | 109.5° | 109.5° |
| H11 | C51 | H12 | 109.5° | 110.2° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.4° | 109.5° |
| H37 | C38 | H39 | 109.4° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.5° |
| H40 | C39 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C37 | C38 | C39 | 121.6° | 120.0° |
| C31 | C37 | C38 | H36 | 119.8° | 120.0° |
| C31 | C37 | C39 | H36 | 119.8° | 120.0° |
| C37 | C31 | O32 | C29 | 128.0° | 180.0° |
| C37 | C31 | C29 | C30 | 168.8° | 75.1° |
| C31 | C37 | C39 | O40 | 33.8° | 175.0° |
| C37 | C31 | C29 | N28 | 77.5° | 165.0° |
| C37 | C31 | C29 | H26 | 47.3° | 45.0° |
| C31 | C37 | C38 | H37 | 180.0° | 60.0° |
| C31 | C37 | C38 | H38 | 60.0° | 180.0° |
| C31 | C37 | C38 | H39 | 60.0° | 60.0° |
| C31 | C37 | C39 | H40 | 154.0° | 54.9° |
| C31 | C37 | C39 | H41 | 86.4° | 65.0° |
| C38 | C37 | C39 | H36 | 118.6° | 119.9° |
| C38 | C37 | C31 | O32 | 158.8° | 95.0° |
| C38 | C37 | C31 | C29 | 38.7° | 85.0° |
| C38 | C37 | C39 | O40 | 87.8° | 65.0° |
| C37 | C38 | H37 | H38 | 120.0° | 120.0° |
| C37 | C38 | H37 | H39 | 120.0° | 120.0° |
| C37 | C38 | H38 | H39 | 120.0° | 120.0° |
| C38 | C37 | C39 | H40 | 32.4° | 175.0° |
| C38 | C37 | C39 | H41 | 152.0° | 55.1° |
| C39 | C37 | C31 | O32 | 39.4° | 25.0° |
| C39 | C37 | C31 | C29 | 80.6° | 155.0° |
| C37 | C39 | O40 | H40 | 120.2° | 120.0° |
| C37 | C39 | O40 | H41 | 120.2° | 120.0° |
| C39 | C37 | C38 | H37 | 58.5° | 180.0° |
| C39 | C37 | C38 | H38 | 61.6° | 60.0° |
| C39 | C37 | C38 | H39 | 178.4° | 60.1° |
| C37 | C39 | H40 | H41 | 119.4° | 120.0° |
| C37 | C39 | O40 | H42 | 47.2° | 180.0° |
| O32 | C31 | C29 | C30 | 68.8° | 105.0° |
| O32 | C31 | C29 | N28 | 44.9° | 15.0° |
| O32 | C31 | C29 | H26 | 169.7° | 135.0° |
| O32 | C31 | C37 | H36 | 80.8° | 145.0° |
| C31 | C29 | C30 | N28 | 119.0° | 120.0° |
| C31 | C29 | C30 | H26 | 121.4° | 120.0° |
| C31 | C29 | C30 | C41 | 164.3° | 175.0° |
| C31 | C29 | N28 | H26 | 124.1° | 120.0° |
| C31 | C29 | N28 | C26 | 127.8° | 85.1° |
| C31 | C29 | N28 | H25 | 52.2° | 95.0° |
| C31 | C29 | C30 | H27 | 74.3° | 65.0° |
| C31 | C29 | C30 | H28 | 42.9° | 55.0° |
| C29 | C31 | C37 | H36 | 159.1° | 35.0° |
| C29 | C30 | C41 | H27 | 121.4° | 120.0° |
| C29 | C30 | C41 | H28 | 121.4° | 120.0° |
| C30 | C29 | N28 | H26 | 118.8° | 120.0° |
| C29 | C30 | C41 | C42 | 178.8° | 89.7° |
| C29 | C30 | C41 | C46 | 0.8° | 90.0° |
| C30 | C29 | N28 | C26 | 115.0° | 155.0° |
| C30 | C29 | N28 | H25 | 64.9° | 25.0° |
| C29 | C30 | H27 | H28 | 115.5° | 120.0° |
| C41 | C30 | C29 | N28 | 76.7° | 65.0° |
| C30 | C41 | C42 | C46 | 179.6° | 179.7° |
| C30 | C41 | C42 | C43 | 180.0° | 180.0° |
| C30 | C41 | C46 | C45 | 179.4° | 179.8° |
| C41 | C30 | C29 | H26 | 42.9° | 55.0° |
| C41 | C30 | H27 | H28 | 115.5° | 120.1° |
| C30 | C41 | C46 | H29 | 0.6° | 0.0° |
| C30 | C41 | C42 | H33 | 0.0° | 0.0° |
| O40 | C39 | C37 | H36 | 153.6° | 55.0° |
| O40 | C39 | H40 | H41 | 119.4° | 120.0° |
| C29 | N28 | C26 | H25 | 180.0° | 180.0° |
| C29 | N28 | C26 | O27 | 4.7° | 0.0° |
| C29 | N28 | C26 | C16 | 176.4° | 180.0° |
| N28 | C29 | C30 | H27 | 44.7° | 55.0° |
| N28 | C29 | C30 | H28 | 161.9° | 175.0° |
| C41 | C42 | C43 | H33 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.5° | 0.0° |
| C42 | C41 | C46 | C45 | 0.2° | 0.5° |
| C42 | C41 | C30 | H27 | 57.4° | 150.3° |
| C42 | C41 | C30 | H28 | 59.8° | 30.2° |
| C42 | C41 | C46 | H29 | 179.8° | 179.8° |
| C41 | C42 | C43 | H32 | 179.5° | 180.0° |
| C43 | C42 | C41 | C46 | 0.3° | 0.3° |
| C42 | C43 | C44 | H32 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.0° |
| C42 | C43 | C44 | H31 | 179.8° | 180.0° |
| C41 | C46 | C45 | H29 | 180.0° | 179.8° |
| C41 | C46 | C45 | C44 | 0.5° | 0.4° |
| C46 | C41 | C30 | H27 | 122.2° | 30.0° |
| C46 | C41 | C30 | H28 | 120.6° | 150.0° |
| C41 | C46 | C45 | H30 | 179.5° | 179.7° |
| C46 | C41 | C42 | H33 | 179.7° | 179.8° |
| C43 | C44 | C45 | C46 | 0.3° | 0.2° |
| C43 | C44 | C45 | H31 | 180.0° | 180.0° |
| C43 | C44 | C45 | H30 | 179.7° | 180.0° |
| C44 | C43 | C42 | H33 | 179.5° | 180.0° |
| C46 | C45 | C44 | H30 | 180.0° | 179.8° |
| C46 | C45 | C44 | H31 | 179.7° | 179.8° |
| N28 | C26 | O27 | C16 | 178.9° | 180.0° |
| N28 | C26 | C16 | C17 | 84.6° | 60.0° |
| N28 | C26 | C16 | N15 | 152.8° | 179.9° |
| N28 | C26 | C16 | H18 | 34.7° | 60.0° |
| C26 | N28 | C29 | H26 | 3.7° | 35.0° |
| C44 | C45 | C46 | H29 | 179.5° | 179.8° |
| C45 | C44 | C43 | H32 | 179.8° | 180.0° |
| O27 | C26 | C16 | C17 | 94.4° | 120.0° |
| O27 | C26 | C16 | N15 | 28.2° | 0.0° |
| O27 | C26 | C16 | H18 | 146.3° | 120.0° |
| O27 | C26 | N28 | H25 | 175.4° | 180.0° |
| C26 | C16 | C17 | N15 | 119.6° | 120.0° |
| C26 | C16 | C17 | H18 | 119.6° | 120.0° |
| C26 | C16 | N15 | H18 | 117.8° | 120.0° |
| C26 | C16 | C17 | C66 | 165.0° | 174.7° |
| C26 | C16 | N15 | C13 | 135.4° | 87.8° |
| C26 | C16 | C17 | H2 | 75.4° | 65.3° |
| C26 | C16 | C17 | H3 | 45.5° | 54.7° |
| C26 | C16 | N15 | H17 | 44.6° | 92.2° |
| C16 | C26 | N28 | H25 | 3.5° | 0.0° |
| C62 | C63 | C67 | H19 | 180.0° | 180.0° |
| C63 | C62 | C61 | H20 | 180.0° | 179.9° |
| C62 | C63 | C67 | C66 | 179.2° | 179.9° |
| C62 | C63 | C67 | C68 | 0.2° | 0.1° |
| C63 | C62 | C61 | C60 | 0.3° | 0.1° |
| C63 | C62 | C61 | H22 | 179.6° | 180.0° |
| C67 | C63 | C62 | C61 | 0.1° | 0.0° |
| C63 | C67 | C66 | C17 | 2.4° | 0.1° |
| C63 | C67 | C66 | C68 | 179.5° | 179.9° |
| C63 | C67 | C66 | C65 | 179.8° | 179.8° |
| C63 | C67 | C68 | C60 | 0.4° | 0.1° |
| C63 | C67 | C68 | N69 | 179.9° | 179.9° |
| C67 | C63 | C62 | H20 | 179.9° | 180.0° |
| C17 | C16 | N15 | H18 | 120.3° | 120.0° |
| C16 | C17 | C66 | H2 | 119.6° | 120.0° |
| C16 | C17 | C66 | H3 | 119.5° | 120.0° |
| C16 | C17 | C66 | C67 | 97.1° | 87.4° |
| C17 | C16 | N15 | C13 | 102.6° | 152.3° |
| C16 | C17 | C66 | C65 | 80.0° | 92.2° |
| C16 | C17 | H2 | H3 | 121.3° | 119.9° |
| C17 | C16 | N15 | H17 | 77.4° | 27.8° |
| N15 | C16 | C17 | C66 | 75.4° | 65.4° |
| C16 | N15 | C13 | H17 | 180.0° | 180.0° |
| C16 | N15 | C13 | O14 | 1.7° | 5.2° |
| C16 | N15 | C13 | C11 | 177.7° | 174.8° |
| N15 | C16 | C17 | H2 | 44.2° | 54.7° |
| N15 | C16 | C17 | H3 | 165.1° | 174.6° |
| C62 | C61 | C60 | H22 | 180.0° | 179.9° |
| C62 | C61 | C60 | C68 | 0.2° | 0.1° |
| C61 | C62 | C63 | H19 | 179.9° | 179.9° |
| C62 | C61 | C60 | H23 | 179.7° | 179.9° |
| C17 | C66 | C67 | C65 | 177.5° | 179.7° |
| C17 | C66 | C67 | C68 | 178.1° | 180.0° |
| C17 | C66 | C65 | N69 | 178.4° | 180.0° |
| C66 | C17 | H2 | H3 | 121.3° | 120.1° |
| C66 | C17 | C16 | H18 | 45.5° | 54.7° |
| C17 | C66 | C65 | H24 | 1.6° | 0.1° |
| C66 | C67 | C68 | C60 | 179.2° | 180.0° |
| C66 | C67 | C68 | N69 | 0.3° | 0.2° |
| C67 | C66 | C65 | N69 | 0.8° | 0.3° |
| C67 | C66 | C17 | H2 | 143.3° | 32.6° |
| C67 | C66 | C17 | H3 | 22.4° | 152.6° |
| C66 | C67 | C63 | H19 | 0.7° | 0.1° |
| C67 | C66 | C65 | H24 | 179.2° | 179.8° |
| C68 | C67 | C66 | C65 | 0.6° | 0.3° |
| C67 | C68 | C60 | C61 | 0.1° | 0.0° |
| C67 | C68 | C60 | N69 | 179.4° | 179.8° |
| C67 | C68 | N69 | C65 | 0.2° | 0.0° |
| C68 | C67 | C63 | H19 | 179.8° | 180.0° |
| C67 | C68 | C60 | H23 | 179.9° | 180.0° |
| C67 | C68 | N69 | H34 | 179.8° | 179.8° |
| N15 | C13 | O14 | C11 | 176.0° | 179.9° |
| N15 | C13 | C11 | C12 | 9.7° | 85.2° |
| N15 | C13 | C11 | N1 | 136.7° | 154.9° |
| N15 | C13 | C11 | H13 | 106.6° | 34.8° |
| C13 | N15 | C16 | H18 | 17.6° | 32.3° |
| C66 | C65 | N69 | C68 | 0.6° | 0.2° |
| C66 | C65 | N69 | H24 | 180.0° | 179.9° |
| C65 | C66 | C17 | H2 | 39.5° | 147.8° |
| C65 | C66 | C17 | H3 | 160.4° | 27.7° |
| C66 | C65 | N69 | H34 | 179.4° | 180.0° |
| C61 | C60 | C68 | H23 | 180.0° | 180.0° |
| C61 | C60 | C68 | N69 | 179.5° | 179.8° |
| C60 | C61 | C62 | H20 | 179.7° | 180.0° |
| O14 | C13 | C11 | C12 | 174.1° | 94.8° |
| O14 | C13 | C11 | N1 | 47.1° | 25.2° |
| O14 | C13 | C11 | H13 | 69.6° | 145.2° |
| O14 | C13 | N15 | H17 | 178.3° | 174.8° |
| C13 | C11 | C12 | N1 | 127.3° | 120.0° |
| C13 | C11 | C12 | H13 | 116.3° | 120.0° |
| C13 | C11 | N1 | H13 | 116.4° | 120.1° |
| C13 | C11 | N1 | C2 | 91.3° | 155.0° |
| C13 | C11 | N1 | H1 | 88.7° | 25.0° |
| C13 | C11 | C12 | H14 | 180.0° | 175.3° |
| C13 | C11 | C12 | H15 | 60.0° | 64.7° |
| C13 | C11 | C12 | H16 | 60.0° | 55.3° |
| C11 | C13 | N15 | H17 | 2.3° | 5.3° |
| C60 | C68 | N69 | C65 | 179.7° | 179.8° |
| C68 | C60 | C61 | H22 | 179.7° | 180.0° |
| C60 | C68 | N69 | H34 | 0.3° | 0.0° |
| C68 | N69 | C65 | H34 | 180.0° | 179.9° |
| N69 | C68 | C60 | H23 | 0.5° | 0.2° |
| C68 | N69 | C65 | H24 | 179.4° | 179.9° |
| C12 | C11 | N1 | H13 | 116.2° | 119.9° |
| C12 | C11 | N1 | C2 | 36.2° | 85.0° |
| C12 | C11 | N1 | H1 | 143.8° | 95.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | N1 | C2 | H1 | 180.0° | 180.0° |
| C11 | N1 | C2 | O3 | 3.4° | 0.0° |
| C11 | N1 | C2 | C50 | 178.3° | 180.0° |
| N1 | C11 | C12 | H14 | 52.7° | 55.3° |
| N1 | C11 | C12 | H15 | 172.7° | 175.3° |
| N1 | C11 | C12 | H16 | 67.3° | 64.7° |
| N1 | C2 | O3 | C50 | 178.3° | 180.0° |
| N1 | C2 | C50 | C51 | 3.4° | 0.0° |
| N1 | C2 | C50 | C58 | 178.2° | 179.6° |
| C2 | N1 | C11 | H13 | 152.4° | 34.9° |
| O3 | C2 | C50 | C51 | 175.0° | 180.0° |
| O3 | C2 | C50 | C58 | 3.5° | 0.4° |
| O3 | C2 | N1 | H1 | 176.6° | 180.0° |
| C2 | C50 | C51 | C58 | 178.7° | 179.6° |
| C2 | C50 | C51 | C52 | 179.5° | 180.0° |
| C2 | C50 | C58 | C59 | 1.7° | 0.2° |
| C2 | C50 | C58 | C57 | 179.9° | 180.0° |
| C50 | C2 | N1 | H1 | 1.7° | 0.0° |
| C2 | C50 | C51 | H11 | 60.2° | 60.9° |
| C2 | C50 | C51 | H12 | 61.2° | 61.1° |
| C50 | C51 | C52 | H11 | 119.3° | 119.3° |
| C50 | C51 | C52 | H12 | 119.3° | 118.8° |
| C51 | C50 | C58 | C59 | 177.1° | 179.9° |
| C51 | C50 | C58 | C57 | 1.2° | 0.4° |
| C50 | C51 | C52 | C57 | 0.1° | 0.2° |
| C50 | C51 | C52 | C53 | 179.3° | 179.8° |
| C50 | C51 | H11 | H12 | 122.0° | 121.9° |
| C58 | C50 | C51 | C52 | 0.8° | 0.4° |
| C50 | C58 | C59 | C57 | 178.1° | 179.7° |
| C50 | C58 | C57 | C52 | 1.1° | 0.3° |
| C50 | C58 | C57 | C56 | 177.8° | 179.7° |
| C50 | C58 | C59 | H4 | 180.0° | 179.7° |
| C50 | C58 | C59 | H5 | 60.0° | 60.3° |
| C50 | C58 | C59 | H6 | 60.0° | 59.7° |
| C58 | C50 | C51 | H11 | 118.5° | 118.7° |
| C58 | C50 | C51 | H12 | 120.1° | 119.3° |
| C51 | C52 | C57 | C58 | 0.6° | 0.0° |
| C51 | C52 | C57 | C53 | 179.5° | 180.0° |
| C51 | C52 | C57 | C56 | 178.4° | 180.0° |
| C51 | C52 | C53 | C54 | 178.9° | 180.0° |
| C51 | C52 | C53 | H10 | 1.2° | 0.0° |
| C52 | C51 | H11 | H12 | 122.0° | 121.9° |
| C59 | C58 | C57 | C52 | 177.2° | 180.0° |
| C59 | C58 | C57 | C56 | 3.9° | 0.0° |
| C58 | C59 | H4 | H5 | 120.0° | 120.1° |
| C58 | C59 | H4 | H6 | 120.0° | 120.0° |
| C58 | C59 | H5 | H6 | 120.0° | 120.0° |
| C58 | C57 | C52 | C56 | 179.0° | 180.0° |
| C58 | C57 | C52 | C53 | 179.9° | 180.0° |
| C58 | C57 | C56 | C55 | 179.7° | 180.0° |
| C57 | C58 | C59 | H4 | 1.9° | 0.0° |
| C57 | C58 | C59 | H5 | 121.9° | 120.0° |
| C57 | C58 | C59 | H6 | 118.1° | 119.9° |
| C58 | C57 | C56 | H7 | 0.3° | 0.0° |
| C57 | C52 | C53 | C54 | 0.5° | 0.0° |
| C52 | C57 | C56 | C55 | 1.0° | 0.0° |
| C52 | C57 | C56 | H7 | 179.0° | 180.0° |
| C57 | C52 | C53 | H10 | 179.5° | 179.9° |
| C57 | C52 | C51 | H11 | 119.2° | 119.0° |
| C57 | C52 | C51 | H12 | 119.4° | 119.1° |
| C53 | C52 | C57 | C56 | 1.0° | 0.0° |
| C52 | C53 | C54 | H10 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.2° | 0.0° |
| C52 | C53 | C54 | H9 | 179.8° | 180.0° |
| C53 | C52 | C51 | H11 | 61.4° | 61.0° |
| C53 | C52 | C51 | H12 | 60.0° | 60.9° |
| C57 | C56 | C55 | H7 | 180.0° | 180.0° |
| C57 | C56 | C55 | C54 | 0.3° | 0.0° |
| C57 | C56 | C55 | H8 | 179.7° | 180.0° |
| C53 | C54 | C55 | C56 | 0.3° | 0.0° |
| C53 | C54 | C55 | H9 | 180.0° | 180.0° |
| C53 | C54 | C55 | H8 | 179.7° | 180.0° |
| C56 | C55 | C54 | H8 | 180.0° | 180.0° |
| C56 | C55 | C54 | H9 | 179.7° | 180.0° |
| C54 | C55 | C56 | H7 | 179.7° | 180.0° |
| C55 | C54 | C53 | H10 | 179.8° | 180.0° |
| H1 | N1 | C11 | H13 | 27.7° | 145.0° |
| H2 | C17 | C16 | H18 | 165.0° | 174.7° |
| H3 | C17 | C16 | H18 | 74.1° | 65.3° |
| H4 | C59 | H5 | H6 | 120.0° | 119.9° |
| H7 | C56 | C55 | H8 | 0.3° | 0.0° |
| H8 | C55 | C54 | H9 | 0.3° | 0.0° |
| H9 | C54 | C53 | H10 | 0.2° | 0.0° |
| H13 | C11 | C12 | H14 | 63.7° | 64.7° |
| H13 | C11 | C12 | H15 | 56.3° | 55.3° |
| H13 | C11 | C12 | H16 | 176.2° | 175.4° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| H17 | N15 | C16 | H18 | 162.4° | 147.8° |
| H19 | C63 | C62 | H20 | 0.1° | 0.0° |
| H20 | C62 | C61 | H22 | 0.4° | 0.1° |
| H22 | C61 | C60 | H23 | 0.3° | 0.1° |
| H24 | C65 | N69 | H34 | 0.6° | 0.1° |
| H25 | N28 | C29 | H26 | 176.3° | 145.0° |
| H26 | C29 | C30 | H27 | 164.3° | 174.9° |
| H26 | C29 | C30 | H28 | 78.5° | 65.1° |
| H29 | C46 | C45 | H30 | 0.5° | 0.0° |
| H30 | C45 | C44 | H31 | 0.3° | 0.0° |
| H31 | C44 | C43 | H32 | 0.2° | 0.0° |
| H32 | C43 | C42 | H33 | 0.5° | 0.0° |
| H36 | C37 | C38 | H37 | 60.2° | 60.0° |
| H36 | C37 | C38 | H38 | 179.8° | 60.0° |
| H36 | C37 | C38 | H39 | 59.8° | 180.0° |
| H36 | C37 | C39 | H40 | 86.2° | 65.1° |
| H36 | C37 | C39 | H41 | 33.4° | 175.0° |
| H37 | C38 | H38 | H39 | 119.9° | 120.0° |
| H40 | C39 | O40 | H42 | 167.4° | 60.0° |
| H41 | C39 | O40 | H42 | 73.0° | 60.0° |
