79P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C31 | sing | 1.53Å | 1.57Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C31 | O32 | sing | 1.43Å | 1.36Å | |
| C31 | C29 | sing | 1.53Å | 1.55Å | |
| C39 | O40 | sing | 1.43Å | 1.41Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C41 | sing | 1.51Å | 1.38Å | |
| C42 | C41 | doub | 1.38Å | 1.37Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.47Å | 1.45Å | |
| C41 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.32Å | |
| C26 | O27 | doub | 1.21Å | 1.21Å | |
| C26 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C17 | C66 | sing | 1.51Å | 1.50Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C63 | C62 | doub | 1.37Å | 1.37Å | Aromatic |
| C63 | C67 | sing | 1.40Å | 1.31Å | Aromatic |
| C62 | C61 | sing | 1.39Å | 1.37Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.32Å | |
| C66 | C67 | sing | 1.46Å | 1.30Å | Aromatic |
| C66 | C65 | doub | 1.34Å | 1.30Å | Aromatic |
| C67 | C68 | doub | 1.41Å | 1.31Å | Aromatic |
| O14 | C13 | doub | 1.21Å | 1.21Å | |
| C13 | C11 | sing | 1.51Å | 1.48Å | |
| C61 | C60 | doub | 1.38Å | 1.37Å | Aromatic |
| C65 | N69 | sing | 1.37Å | 1.32Å | Aromatic |
| C68 | C60 | sing | 1.39Å | 1.31Å | Aromatic |
| C68 | N69 | sing | 1.38Å | 1.31Å | Aromatic |
| C11 | N1 | sing | 1.47Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| N55 | C56 | sing | 1.47Å | 1.47Å | |
| N55 | C54 | sing | 1.47Å | 1.47Å | |
| N55 | C50 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.31Å | |
| O3 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C56 | sing | 1.51Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.50Å | |
| C53 | O52 | sing | 1.43Å | 1.43Å | |
| C51 | C50 | sing | 1.53Å | 1.49Å | |
| C51 | O52 | sing | 1.43Å | 1.41Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C50 | H4 | sing | 1.09Å | 1.10Å | |
| C50 | H5 | sing | 1.09Å | 1.10Å | |
| C51 | H6 | sing | 1.09Å | 1.10Å | |
| C51 | H7 | sing | 1.09Å | 1.10Å | |
| C53 | H8 | sing | 1.09Å | 1.10Å | |
| C53 | H9 | sing | 1.09Å | 1.10Å | |
| C54 | H10 | sing | 1.09Å | 1.10Å | |
| C54 | H11 | sing | 1.09Å | 1.10Å | |
| C56 | H13 | sing | 1.09Å | 1.10Å | |
| C56 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C63 | H21 | sing | 1.08Å | 1.08Å | |
| C62 | H22 | sing | 1.08Å | 1.08Å | |
| C61 | H23 | sing | 1.08Å | 1.08Å | |
| C60 | H24 | sing | 1.08Å | 1.08Å | |
| N69 | H25 | sing | 0.97Å | 1.00Å | |
| C65 | H26 | sing | 1.08Å | 1.08Å | |
| N28 | H27 | sing | 0.97Å | 1.00Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.08Å | 1.08Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| C44 | H33 | sing | 1.08Å | 1.08Å | |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| O32 | H37 | sing | 0.97Å | 0.95Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| O40 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C37 | C38 | 108.9° | 109.5° |
| C31 | C37 | C39 | 109.8° | 109.5° |
| C37 | C31 | O32 | 111.7° | 109.5° |
| C37 | C31 | C29 | 119.4° | 109.5° |
| C37 | C31 | H36 | 106.0° | 109.5° |
| C31 | C37 | H38 | 108.6° | 109.4° |
| C38 | C37 | C39 | 110.9° | 109.5° |
| C38 | C37 | H38 | 109.4° | 109.5° |
| C37 | C38 | H39 | 109.5° | 109.5° |
| C37 | C38 | H40 | 109.4° | 109.5° |
| C37 | C38 | H41 | 109.5° | 109.5° |
| C37 | C39 | O40 | 113.2° | 109.5° |
| C39 | C37 | H38 | 109.2° | 109.5° |
| C37 | C39 | H42 | 108.5° | 109.5° |
| C37 | C39 | H43 | 108.5° | 109.4° |
| O32 | C31 | C29 | 104.7° | 109.5° |
| O32 | C31 | H36 | 108.4° | 109.5° |
| C31 | O32 | H37 | 109.5° | 113.9° |
| C31 | C29 | C30 | 106.8° | 109.5° |
| C31 | C29 | N28 | 112.6° | 109.5° |
| C31 | C29 | H28 | 111.1° | 109.5° |
| C29 | C31 | H36 | 106.2° | 109.4° |
| O40 | C39 | H42 | 108.5° | 109.5° |
| O40 | C39 | H43 | 108.5° | 109.5° |
| C39 | O40 | H44 | 109.5° | 114.0° |
| C29 | C30 | C41 | 117.6° | 109.5° |
| C30 | C29 | N28 | 101.5° | 109.5° |
| C30 | C29 | H28 | 111.5° | 109.4° |
| C29 | C30 | H29 | 107.4° | 109.5° |
| C29 | C30 | H30 | 107.4° | 109.5° |
| C30 | C41 | C42 | 118.2° | 120.0° |
| C30 | C41 | C46 | 123.4° | 120.0° |
| C41 | C30 | H29 | 107.4° | 109.4° |
| C41 | C30 | H30 | 107.4° | 109.4° |
| C41 | C42 | C43 | 121.2° | 120.0° |
| C42 | C41 | C46 | 118.4° | 120.0° |
| C41 | C42 | H35 | 119.4° | 120.0° |
| C42 | C43 | C44 | 120.1° | 120.0° |
| C42 | C43 | H34 | 119.9° | 120.0° |
| C43 | C42 | H35 | 119.4° | 120.0° |
| C29 | N28 | C26 | 124.2° | 120.0° |
| C29 | N28 | H27 | 117.9° | 120.0° |
| N28 | C29 | H28 | 112.7° | 109.5° |
| C41 | C46 | C45 | 121.0° | 120.0° |
| C41 | C46 | H31 | 119.5° | 120.0° |
| C43 | C44 | C45 | 119.4° | 120.0° |
| C43 | C44 | H33 | 120.3° | 120.0° |
| C44 | C43 | H34 | 120.0° | 120.0° |
| C46 | C45 | C44 | 119.9° | 120.0° |
| C45 | C46 | H31 | 119.5° | 120.0° |
| C46 | C45 | H32 | 120.0° | 120.0° |
| C44 | C45 | H32 | 120.1° | 120.0° |
| C45 | C44 | H33 | 120.3° | 120.0° |
| N28 | C26 | O27 | 124.3° | 120.0° |
| N28 | C26 | C16 | 116.0° | 120.0° |
| C26 | N28 | H27 | 117.9° | 120.0° |
| O27 | C26 | C16 | 119.7° | 120.0° |
| C26 | C16 | C17 | 111.6° | 109.5° |
| C26 | C16 | N15 | 107.7° | 109.5° |
| C26 | C16 | H20 | 109.8° | 109.5° |
| C16 | C17 | C66 | 106.9° | 109.5° |
| C17 | C16 | N15 | 107.1° | 109.4° |
| C16 | C17 | H2 | 110.1° | 109.4° |
| C16 | C17 | H3 | 110.1° | 109.4° |
| C17 | C16 | H20 | 109.8° | 109.5° |
| C17 | C66 | C67 | 125.1° | 126.5° |
| C17 | C66 | C65 | 125.0° | 126.5° |
| C66 | C17 | H2 | 110.1° | 109.5° |
| C66 | C17 | H3 | 110.1° | 109.5° |
| C16 | N15 | C13 | 120.4° | 120.0° |
| C16 | N15 | H19 | 119.8° | 120.0° |
| N15 | C16 | H20 | 110.7° | 109.5° |
| C62 | C63 | C67 | 120.1° | 119.8° |
| C63 | C62 | C61 | 119.0° | 120.5° |
| C62 | C63 | H21 | 119.9° | 120.1° |
| C63 | C62 | H22 | 120.5° | 119.8° |
| C63 | C67 | C66 | 131.7° | 134.0° |
| C63 | C67 | C68 | 121.3° | 119.9° |
| C67 | C63 | H21 | 120.0° | 120.1° |
| C62 | C61 | C60 | 117.5° | 120.7° |
| C61 | C62 | H22 | 120.5° | 119.7° |
| C62 | C61 | H23 | 121.3° | 119.6° |
| N15 | C13 | O14 | 124.4° | 120.0° |
| N15 | C13 | C11 | 116.1° | 120.0° |
| C13 | N15 | H19 | 119.8° | 120.0° |
| C67 | C66 | C65 | 109.9° | 107.0° |
| C66 | C67 | C68 | 106.9° | 106.1° |
| C66 | C65 | N69 | 106.7° | 109.9° |
| C66 | C65 | H26 | 126.7° | 125.0° |
| C67 | C68 | C60 | 120.9° | 119.4° |
| C67 | C68 | N69 | 108.4° | 107.2° |
| O14 | C13 | C11 | 119.4° | 120.1° |
| C13 | C11 | N1 | 105.3° | 109.4° |
| C13 | C11 | C12 | 108.7° | 109.5° |
| C13 | C11 | H15 | 111.7° | 109.5° |
| C61 | C60 | C68 | 121.1° | 119.8° |
| C60 | C61 | H23 | 121.2° | 119.7° |
| C61 | C60 | H24 | 119.5° | 120.1° |
| C65 | N69 | C68 | 108.1° | 109.8° |
| C65 | N69 | H25 | 126.0° | 125.1° |
| N69 | C65 | H26 | 126.6° | 125.1° |
| C60 | C68 | N69 | 130.7° | 133.5° |
| C68 | C60 | H24 | 119.5° | 120.1° |
| C68 | N69 | H25 | 126.0° | 125.1° |
| N1 | C11 | C12 | 106.9° | 109.5° |
| C11 | N1 | C2 | 120.8° | 120.0° |
| C11 | N1 | H1 | 119.6° | 120.0° |
| N1 | C11 | H15 | 112.5° | 109.4° |
| C12 | C11 | H15 | 111.4° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C56 | N55 | C54 | 105.6° | 111.0° |
| C56 | N55 | C50 | 114.9° | 111.1° |
| N55 | C56 | C2 | 116.1° | 109.5° |
| N55 | C56 | H13 | 107.8° | 109.5° |
| N55 | C56 | H14 | 107.8° | 109.4° |
| C54 | N55 | C50 | 111.3° | 110.7° |
| N55 | C54 | C53 | 109.9° | 109.3° |
| N55 | C54 | H10 | 109.4° | 109.5° |
| N55 | C54 | H11 | 109.3° | 109.5° |
| N55 | C50 | C51 | 109.7° | 109.3° |
| N55 | C50 | H4 | 109.4° | 109.5° |
| N55 | C50 | H5 | 109.4° | 109.5° |
| N1 | C2 | O3 | 122.3° | 120.0° |
| N1 | C2 | C56 | 113.7° | 120.0° |
| C2 | N1 | H1 | 119.6° | 120.0° |
| O3 | C2 | C56 | 124.0° | 120.0° |
| C2 | C56 | H13 | 107.8° | 109.5° |
| C2 | C56 | H14 | 107.8° | 109.5° |
| C54 | C53 | O52 | 106.8° | 109.3° |
| C54 | C53 | H8 | 110.1° | 109.5° |
| C54 | C53 | H9 | 110.1° | 109.5° |
| C53 | C54 | H10 | 109.3° | 109.5° |
| C53 | C54 | H11 | 109.4° | 109.5° |
| C53 | O52 | C51 | 115.2° | 113.7° |
| O52 | C53 | H8 | 110.1° | 109.5° |
| O52 | C53 | H9 | 110.1° | 109.5° |
| C50 | C51 | O52 | 106.6° | 109.3° |
| C51 | C50 | H4 | 109.4° | 109.5° |
| C51 | C50 | H5 | 109.4° | 109.5° |
| C50 | C51 | H6 | 110.2° | 109.5° |
| C50 | C51 | H7 | 110.2° | 109.6° |
| O52 | C51 | H6 | 110.2° | 109.4° |
| O52 | C51 | H7 | 110.2° | 109.5° |
| H2 | C17 | H3 | 109.4° | 109.5° |
| H4 | C50 | H5 | 109.5° | 109.5° |
| H6 | C51 | H7 | 109.5° | 109.5° |
| H8 | C53 | H9 | 109.5° | 109.5° |
| H10 | C54 | H11 | 109.5° | 109.5° |
| H13 | C56 | H14 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.4° |
| H16 | C12 | H18 | 109.4° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H39 | C38 | H40 | 109.5° | 109.4° |
| H39 | C38 | H41 | 109.4° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C37 | C38 | C39 | 120.9° | 120.0° |
| C31 | C37 | C38 | H38 | 118.6° | 120.0° |
| C31 | C37 | C39 | H38 | 119.0° | 119.9° |
| C37 | C31 | O32 | C29 | 130.5° | 120.0° |
| C37 | C31 | O32 | H36 | 116.4° | 120.0° |
| C37 | C31 | C29 | H36 | 119.5° | 120.0° |
| C31 | C37 | C39 | O40 | 92.3° | 175.0° |
| C37 | C31 | C29 | C30 | 175.9° | 64.1° |
| C37 | C31 | C29 | N28 | 73.5° | 175.8° |
| C37 | C31 | C29 | H28 | 54.1° | 55.9° |
| C37 | C31 | O32 | H37 | 180.0° | 60.0° |
| C31 | C37 | C38 | H39 | 180.0° | 55.2° |
| C31 | C37 | C38 | H40 | 60.0° | 64.7° |
| C31 | C37 | C38 | H41 | 60.0° | 175.2° |
| C31 | C37 | C39 | H42 | 147.2° | 55.0° |
| C31 | C37 | C39 | H43 | 28.2° | 65.0° |
| C38 | C37 | C39 | H38 | 120.6° | 120.0° |
| C38 | C37 | C31 | O32 | 153.4° | 57.4° |
| C38 | C37 | C31 | C29 | 30.8° | 62.6° |
| C38 | C37 | C39 | O40 | 28.0° | 65.0° |
| C38 | C37 | C31 | H36 | 88.8° | 177.4° |
| C37 | C38 | H39 | H40 | 120.0° | 120.0° |
| C37 | C38 | H39 | H41 | 120.0° | 120.0° |
| C37 | C38 | H40 | H41 | 120.0° | 120.1° |
| C38 | C37 | C39 | H42 | 92.5° | 175.0° |
| C38 | C37 | C39 | H43 | 148.6° | 55.0° |
| C39 | C37 | C31 | O32 | 31.8° | 62.6° |
| C39 | C37 | C31 | C29 | 90.7° | 177.3° |
| C37 | C39 | O40 | H42 | 120.5° | 120.1° |
| C37 | C39 | O40 | H43 | 120.5° | 119.9° |
| C39 | C37 | C31 | H36 | 149.7° | 57.4° |
| C39 | C37 | C38 | H39 | 59.1° | 64.8° |
| C39 | C37 | C38 | H40 | 60.9° | 175.3° |
| C39 | C37 | C38 | H41 | 179.1° | 55.2° |
| C37 | C39 | H42 | H43 | 118.3° | 120.0° |
| C37 | C39 | O40 | H44 | 180.0° | 180.0° |
| O32 | C31 | C29 | H36 | 114.6° | 120.0° |
| O32 | C31 | C29 | C30 | 58.2° | 175.9° |
| O32 | C31 | C29 | N28 | 52.4° | 55.8° |
| O32 | C31 | C29 | H28 | 180.0° | 64.2° |
| O32 | C31 | C37 | H38 | 87.6° | 177.4° |
| C31 | C29 | C30 | N28 | 118.1° | 120.0° |
| C31 | C29 | C30 | H28 | 121.6° | 120.0° |
| C31 | C29 | C30 | C41 | 153.1° | 175.0° |
| C31 | C29 | N28 | H28 | 126.7° | 120.0° |
| C31 | C29 | N28 | C26 | 134.0° | 94.7° |
| C31 | C29 | N28 | H27 | 46.0° | 85.2° |
| C31 | C29 | C30 | H29 | 85.7° | 65.0° |
| C31 | C29 | C30 | H30 | 31.9° | 55.0° |
| C29 | C31 | O32 | H37 | 49.5° | 60.0° |
| C29 | C31 | C37 | H38 | 149.9° | 57.4° |
| O40 | C39 | C37 | H38 | 148.7° | 55.1° |
| O40 | C39 | H42 | H43 | 118.3° | 120.0° |
| C29 | C30 | C41 | H29 | 121.2° | 120.0° |
| C29 | C30 | C41 | H30 | 121.2° | 120.1° |
| C29 | C30 | C41 | C42 | 179.3° | 90.3° |
| C30 | C29 | N28 | H28 | 119.4° | 120.0° |
| C29 | C30 | C41 | C46 | 0.3° | 89.9° |
| C30 | C29 | N28 | C26 | 112.1° | 145.2° |
| C30 | C29 | N28 | H27 | 67.9° | 34.9° |
| C29 | C30 | H29 | H30 | 116.3° | 120.0° |
| C30 | C29 | C31 | H36 | 56.4° | 55.9° |
| C30 | C41 | C42 | C46 | 179.6° | 179.8° |
| C30 | C41 | C42 | C43 | 179.6° | 179.6° |
| C41 | C30 | C29 | N28 | 88.8° | 65.0° |
| C30 | C41 | C46 | C45 | 179.6° | 180.0° |
| C41 | C30 | C29 | H28 | 31.5° | 55.0° |
| C41 | C30 | H29 | H30 | 116.3° | 119.9° |
| C30 | C41 | C46 | H31 | 0.4° | 0.1° |
| C30 | C41 | C42 | H35 | 0.4° | 0.0° |
| C41 | C42 | C43 | H35 | 180.0° | 179.7° |
| C41 | C42 | C43 | C44 | 0.1° | 0.6° |
| C42 | C41 | C46 | C45 | 0.0° | 0.2° |
| C42 | C41 | C30 | H29 | 59.5° | 149.7° |
| C42 | C41 | C30 | H30 | 58.1° | 29.8° |
| C42 | C41 | C46 | H31 | 180.0° | 179.7° |
| C41 | C42 | C43 | H34 | 179.9° | 179.7° |
| C43 | C42 | C41 | C46 | 0.1° | 0.6° |
| C42 | C43 | C44 | H34 | 180.0° | 179.6° |
| C42 | C43 | C44 | C45 | 0.1° | 0.3° |
| C42 | C43 | C44 | H33 | 179.9° | 179.7° |
| C29 | N28 | C26 | H27 | 180.0° | 179.9° |
| C29 | N28 | C26 | O27 | 1.7° | 4.9° |
| C29 | N28 | C26 | C16 | 178.4° | 175.0° |
| N28 | C29 | C30 | H29 | 32.4° | 55.0° |
| N28 | C29 | C30 | H30 | 150.1° | 175.0° |
| N28 | C29 | C31 | H36 | 167.0° | 64.2° |
| C41 | C46 | C45 | H31 | 180.0° | 179.9° |
| C41 | C46 | C45 | C44 | 0.1° | 0.1° |
| C46 | C41 | C30 | H29 | 120.9° | 30.1° |
| C46 | C41 | C30 | H30 | 121.5° | 150.0° |
| C41 | C46 | C45 | H32 | 179.9° | 180.0° |
| C46 | C41 | C42 | H35 | 179.9° | 179.8° |
| C43 | C44 | C45 | C46 | 0.1° | 0.0° |
| C43 | C44 | C45 | H33 | 180.0° | 180.0° |
| C43 | C44 | C45 | H32 | 179.9° | 179.9° |
| C44 | C43 | C42 | H35 | 179.9° | 179.7° |
| C46 | C45 | C44 | H32 | 180.0° | 179.9° |
| C46 | C45 | C44 | H33 | 179.9° | 179.9° |
| C44 | C45 | C46 | H31 | 179.9° | 180.0° |
| C45 | C44 | C43 | H34 | 179.9° | 180.0° |
| N28 | C26 | O27 | C16 | 179.9° | 180.0° |
| N28 | C26 | C16 | C17 | 67.1° | 60.0° |
| N28 | C26 | C16 | N15 | 175.6° | 180.0° |
| N28 | C26 | C16 | H20 | 54.9° | 60.0° |
| C26 | N28 | C29 | H28 | 7.3° | 25.2° |
| O27 | C26 | C16 | C17 | 112.8° | 120.0° |
| O27 | C26 | C16 | N15 | 4.5° | 0.0° |
| O27 | C26 | C16 | H20 | 125.2° | 120.0° |
| O27 | C26 | N28 | H27 | 178.3° | 175.0° |
| C26 | C16 | C17 | N15 | 117.7° | 120.0° |
| C26 | C16 | C17 | H20 | 122.0° | 120.0° |
| C26 | C16 | C17 | C66 | 179.2° | 176.4° |
| C26 | C16 | N15 | H20 | 120.1° | 120.0° |
| C26 | C16 | N15 | C13 | 107.1° | 84.4° |
| C26 | C16 | C17 | H2 | 61.2° | 63.6° |
| C26 | C16 | C17 | H3 | 59.6° | 56.4° |
| C26 | C16 | N15 | H19 | 72.9° | 95.5° |
| C16 | C26 | N28 | H27 | 1.6° | 5.0° |
| C16 | C17 | C66 | H2 | 119.6° | 120.0° |
| C16 | C17 | C66 | H3 | 119.6° | 119.9° |
| C17 | C16 | N15 | H20 | 119.7° | 120.0° |
| C17 | C16 | N15 | C13 | 132.8° | 155.6° |
| C16 | C17 | C66 | C67 | 97.1° | 85.5° |
| C16 | C17 | C66 | C65 | 82.2° | 94.8° |
| C16 | C17 | H2 | H3 | 121.2° | 119.9° |
| C17 | C16 | N15 | H19 | 47.2° | 24.5° |
| C66 | C17 | C16 | N15 | 63.1° | 63.6° |
| C17 | C66 | C67 | C63 | 1.2° | 0.0° |
| C17 | C66 | C67 | C65 | 179.4° | 179.8° |
| C17 | C66 | C67 | C68 | 179.5° | 179.9° |
| C17 | C66 | C65 | N69 | 179.6° | 179.9° |
| C66 | C17 | H2 | H3 | 121.2° | 120.1° |
| C66 | C17 | C16 | H20 | 57.2° | 56.3° |
| C17 | C66 | C65 | H26 | 0.4° | 0.0° |
| C16 | N15 | C13 | H19 | 180.0° | 179.9° |
| C16 | N15 | C13 | O14 | 0.8° | 4.5° |
| C16 | N15 | C13 | C11 | 179.9° | 175.5° |
| N15 | C16 | C17 | H2 | 56.5° | 56.4° |
| N15 | C16 | C17 | H3 | 177.3° | 176.4° |
| C62 | C63 | C67 | H21 | 180.0° | 179.9° |
| C63 | C62 | C61 | H22 | 180.0° | 180.0° |
| C62 | C63 | C67 | C66 | 179.4° | 180.0° |
| C62 | C63 | C67 | C68 | 0.2° | 0.1° |
| C63 | C62 | C61 | C60 | 0.0° | 0.1° |
| C63 | C62 | C61 | H23 | 180.0° | 179.9° |
| C67 | C63 | C62 | C61 | 0.1° | 0.0° |
| C63 | C67 | C66 | C68 | 179.2° | 179.9° |
| C63 | C67 | C66 | C65 | 179.3° | 179.7° |
| C63 | C67 | C68 | C60 | 0.2° | 0.1° |
| C63 | C67 | C68 | N69 | 179.3° | 180.0° |
| C67 | C63 | C62 | H22 | 179.9° | 179.9° |
| C62 | C61 | C60 | H23 | 180.0° | 179.9° |
| C62 | C61 | C60 | C68 | 0.0° | 0.1° |
| C61 | C62 | C63 | H21 | 179.9° | 180.0° |
| C62 | C61 | C60 | H24 | 180.0° | 179.9° |
| N15 | C13 | O14 | C11 | 179.3° | 180.0° |
| N15 | C13 | C11 | N1 | 133.7° | 164.7° |
| N15 | C13 | C11 | C12 | 112.1° | 75.3° |
| N15 | C13 | C11 | H15 | 11.2° | 44.7° |
| C13 | N15 | C16 | H20 | 13.0° | 35.6° |
| C67 | C66 | C65 | N69 | 0.2° | 0.4° |
| C66 | C67 | C68 | C60 | 179.6° | 180.0° |
| C66 | C67 | C68 | N69 | 0.0° | 0.1° |
| C67 | C66 | C17 | H2 | 143.3° | 34.5° |
| C67 | C66 | C17 | H3 | 22.5° | 154.6° |
| C66 | C67 | C63 | H21 | 0.6° | 0.1° |
| C67 | C66 | C65 | H26 | 179.8° | 179.8° |
| C65 | C66 | C67 | C68 | 0.1° | 0.2° |
| C66 | C65 | N69 | H26 | 180.0° | 179.8° |
| C66 | C65 | N69 | C68 | 0.2° | 0.4° |
| C65 | C66 | C17 | H2 | 37.4° | 145.2° |
| C65 | C66 | C17 | H3 | 158.2° | 25.1° |
| C66 | C65 | N69 | H25 | 179.8° | 179.8° |
| C67 | C68 | C60 | C61 | 0.1° | 0.1° |
| C67 | C68 | N69 | C65 | 0.1° | 0.3° |
| C67 | C68 | C60 | N69 | 179.4° | 179.9° |
| C68 | C67 | C63 | H21 | 179.7° | 180.0° |
| C67 | C68 | C60 | H24 | 179.9° | 179.9° |
| C67 | C68 | N69 | H25 | 179.9° | 179.9° |
| O14 | C13 | C11 | N1 | 45.7° | 15.3° |
| O14 | C13 | C11 | C12 | 68.5° | 104.7° |
| O14 | C13 | C11 | H15 | 168.2° | 135.3° |
| O14 | C13 | N15 | H19 | 179.3° | 175.5° |
| C13 | C11 | N1 | C12 | 115.4° | 120.0° |
| C13 | C11 | N1 | H15 | 122.0° | 120.0° |
| C13 | C11 | C12 | H15 | 123.5° | 120.1° |
| C13 | C11 | N1 | C2 | 128.4° | 155.0° |
| C13 | C11 | N1 | H1 | 51.6° | 24.7° |
| C13 | C11 | C12 | H16 | 180.0° | 64.3° |
| C13 | C11 | C12 | H17 | 60.0° | 175.8° |
| C13 | C11 | C12 | H18 | 60.0° | 55.7° |
| C11 | C13 | N15 | H19 | 0.1° | 4.6° |
| C61 | C60 | C68 | H24 | 180.0° | 179.9° |
| C61 | C60 | C68 | N69 | 179.3° | 180.0° |
| C60 | C61 | C62 | H22 | 180.0° | 179.9° |
| C65 | N69 | C68 | C60 | 179.6° | 179.8° |
| C65 | N69 | C68 | H25 | 180.0° | 179.8° |
| C68 | C60 | C61 | H23 | 180.0° | 180.0° |
| C60 | C68 | N69 | H25 | 0.4° | 0.0° |
| N69 | C68 | C60 | H24 | 0.7° | 0.1° |
| C68 | N69 | C65 | H26 | 179.8° | 179.7° |
| N1 | C11 | C12 | H15 | 123.3° | 120.0° |
| C11 | N1 | C2 | H1 | 180.0° | 179.7° |
| C11 | N1 | C2 | O3 | 0.7° | 0.2° |
| C11 | N1 | C2 | C56 | 179.8° | 179.7° |
| N1 | C11 | C12 | H16 | 66.8° | 55.6° |
| N1 | C11 | C12 | H17 | 173.2° | 64.3° |
| N1 | C11 | C12 | H18 | 53.2° | 175.7° |
| C12 | C11 | N1 | C2 | 116.1° | 85.0° |
| C12 | C11 | N1 | H1 | 63.9° | 95.3° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C56 | N55 | C54 | C50 | 125.4° | 123.8° |
| N55 | C56 | C2 | N1 | 171.2° | 180.0° |
| N55 | C56 | C2 | O3 | 9.7° | 0.0° |
| N55 | C56 | C2 | H13 | 121.0° | 120.0° |
| N55 | C56 | C2 | H14 | 121.0° | 120.0° |
| C56 | N55 | C54 | C53 | 178.4° | 177.6° |
| C56 | N55 | C50 | C51 | 177.6° | 177.6° |
| C56 | N55 | C50 | H4 | 62.4° | 62.4° |
| C56 | N55 | C50 | H5 | 57.6° | 57.6° |
| C56 | N55 | C54 | H10 | 61.6° | 57.7° |
| C56 | N55 | C54 | H11 | 58.3° | 62.5° |
| N55 | C56 | H13 | H14 | 117.0° | 119.9° |
| C54 | N55 | C56 | C2 | 164.8° | 170.0° |
| N55 | C54 | C53 | H10 | 120.1° | 120.0° |
| N55 | C54 | C53 | H11 | 120.1° | 120.0° |
| N55 | C54 | C53 | O52 | 55.4° | 56.9° |
| C54 | N55 | C50 | C51 | 57.6° | 58.6° |
| C54 | N55 | C50 | H4 | 177.6° | 61.4° |
| C54 | N55 | C50 | H5 | 62.5° | 178.6° |
| N55 | C54 | C53 | H8 | 175.0° | 63.1° |
| N55 | C54 | C53 | H9 | 64.1° | 176.8° |
| N55 | C54 | H10 | H11 | 119.8° | 120.1° |
| C54 | N55 | C56 | H13 | 74.2° | 50.0° |
| C54 | N55 | C56 | H14 | 43.9° | 70.0° |
| C50 | N55 | C56 | C2 | 41.7° | 66.3° |
| C50 | N55 | C54 | C53 | 56.2° | 58.6° |
| N55 | C50 | C51 | H4 | 120.0° | 119.9° |
| N55 | C50 | C51 | H5 | 120.0° | 120.0° |
| N55 | C50 | C51 | O52 | 58.1° | 56.8° |
| N55 | C50 | H4 | H5 | 119.9° | 120.1° |
| N55 | C50 | C51 | H6 | 61.4° | 63.1° |
| N55 | C50 | C51 | H7 | 177.6° | 176.8° |
| C50 | N55 | C54 | H10 | 63.9° | 178.5° |
| C50 | N55 | C54 | H11 | 176.3° | 61.4° |
| C50 | N55 | C56 | H13 | 162.7° | 173.6° |
| C50 | N55 | C56 | H14 | 79.3° | 53.6° |
| N1 | C2 | O3 | C56 | 179.0° | 179.9° |
| N1 | C2 | C56 | H13 | 50.3° | 60.0° |
| N1 | C2 | C56 | H14 | 67.8° | 60.1° |
| C2 | N1 | C11 | H15 | 6.5° | 35.0° |
| O3 | C2 | N1 | H1 | 179.3° | 180.0° |
| O3 | C2 | C56 | H13 | 130.7° | 120.0° |
| O3 | C2 | C56 | H14 | 111.2° | 120.0° |
| C56 | C2 | N1 | H1 | 0.2° | 0.0° |
| C2 | C56 | H13 | H14 | 117.0° | 120.0° |
| C54 | C53 | O52 | H8 | 119.6° | 120.0° |
| C54 | C53 | O52 | H9 | 119.6° | 119.9° |
| C54 | C53 | O52 | C51 | 62.4° | 58.7° |
| C54 | C53 | H8 | H9 | 121.2° | 120.1° |
| C53 | C54 | H10 | H11 | 119.8° | 120.0° |
| C53 | O52 | C51 | C50 | 63.8° | 58.6° |
| C53 | O52 | C51 | H6 | 55.8° | 61.3° |
| C53 | O52 | C51 | H7 | 176.6° | 178.6° |
| O52 | C53 | H8 | H9 | 121.2° | 120.1° |
| O52 | C53 | C54 | H10 | 64.7° | 176.8° |
| O52 | C53 | C54 | H11 | 175.5° | 63.1° |
| C50 | C51 | O52 | H6 | 119.5° | 119.9° |
| C50 | C51 | O52 | H7 | 119.6° | 120.0° |
| C51 | C50 | H4 | H5 | 119.9° | 120.1° |
| C50 | C51 | H6 | H7 | 121.4° | 120.2° |
| O52 | C51 | C50 | H4 | 178.1° | 63.1° |
| O52 | C51 | C50 | H5 | 61.9° | 176.8° |
| O52 | C51 | H6 | H7 | 121.3° | 120.0° |
| C51 | O52 | C53 | H8 | 178.0° | 61.3° |
| C51 | O52 | C53 | H9 | 57.1° | 178.6° |
| H1 | N1 | C11 | H15 | 173.5° | 144.7° |
| H2 | C17 | C16 | H20 | 176.8° | 176.4° |
| H3 | C17 | C16 | H20 | 62.4° | 63.7° |
| H4 | C50 | C51 | H6 | 58.6° | 177.0° |
| H4 | C50 | C51 | H7 | 62.3° | 56.9° |
| H5 | C50 | C51 | H6 | 178.5° | 57.0° |
| H5 | C50 | C51 | H7 | 57.6° | 63.2° |
| H8 | C53 | C54 | H10 | 54.9° | 56.8° |
| H8 | C53 | C54 | H11 | 65.0° | 176.9° |
| H9 | C53 | C54 | H10 | 175.8° | 63.3° |
| H9 | C53 | C54 | H11 | 55.9° | 56.8° |
| H15 | C11 | C12 | H16 | 56.4° | 175.6° |
| H15 | C11 | C12 | H17 | 63.5° | 55.7° |
| H15 | C11 | C12 | H18 | 176.5° | 64.4° |
| H16 | C12 | H17 | H18 | 119.9° | 120.0° |
| H19 | N15 | C16 | H20 | 166.9° | 144.5° |
| H21 | C63 | C62 | H22 | 0.1° | 0.0° |
| H22 | C62 | C61 | H23 | 0.1° | 0.0° |
| H23 | C61 | C60 | H24 | 0.0° | 0.1° |
| H25 | N69 | C65 | H26 | 0.2° | 0.1° |
| H27 | N28 | C29 | H28 | 172.7° | 154.8° |
| H28 | C29 | C30 | H29 | 152.7° | 175.0° |
| H28 | C29 | C30 | H30 | 89.7° | 65.0° |
| H28 | C29 | C31 | H36 | 65.4° | 175.9° |
| H31 | C46 | C45 | H32 | 0.1° | 0.1° |
| H32 | C45 | C44 | H33 | 0.1° | 0.0° |
| H33 | C44 | C43 | H34 | 0.1° | 0.1° |
| H34 | C43 | C42 | H35 | 0.1° | 0.1° |
| H36 | C31 | O32 | H37 | 63.6° | 180.0° |
| H36 | C31 | C37 | H38 | 30.3° | 62.6° |
| H38 | C37 | C38 | H39 | 61.4° | 175.2° |
| H38 | C37 | C38 | H40 | 178.6° | 55.3° |
| H38 | C37 | C38 | H41 | 58.6° | 64.8° |
| H38 | C37 | C39 | H42 | 28.1° | 65.0° |
| H38 | C37 | C39 | H43 | 90.8° | 175.0° |
| H39 | C38 | H40 | H41 | 120.0° | 120.0° |
| H42 | C39 | O40 | H44 | 59.4° | 60.0° |
| H43 | C39 | O40 | H44 | 59.5° | 60.0° |
