38X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C37 | C31 | sing | 1.51Å | 1.57Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C31 | O32 | doub | 1.21Å | 1.35Å | |
| C31 | C29 | sing | 1.51Å | 1.56Å | |
| C39 | O40 | sing | 1.43Å | 1.40Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C42 | C43 | sing | 1.53Å | 1.49Å | |
| C30 | C41 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C41 | C46 | sing | 1.53Å | 1.49Å | |
| C29 | N28 | sing | 1.46Å | 1.46Å | |
| C43 | C44 | sing | 1.53Å | 1.45Å | |
| C44 | C45 | sing | 1.53Å | 1.47Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| N28 | C26 | sing | 1.35Å | 1.31Å | |
| C26 | O27 | doub | 1.21Å | 1.20Å | |
| C26 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | N15 | sing | 1.46Å | 1.45Å | |
| C17 | C66 | sing | 1.51Å | 1.55Å | |
| C65 | C66 | doub | 1.34Å | 1.29Å | Aromatic |
| C65 | N69 | sing | 1.37Å | 1.29Å | Aromatic |
| C66 | C67 | sing | 1.47Å | 1.31Å | Aromatic |
| N69 | C68 | sing | 1.38Å | 1.27Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.32Å | |
| C67 | C68 | doub | 1.41Å | 1.31Å | Aromatic |
| C67 | C63 | sing | 1.40Å | 1.32Å | Aromatic |
| C68 | C60 | sing | 1.39Å | 1.31Å | Aromatic |
| C63 | C62 | doub | 1.37Å | 1.39Å | Aromatic |
| C60 | C61 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | O14 | doub | 1.21Å | 1.20Å | |
| C13 | C11 | sing | 1.51Å | 1.47Å | |
| C62 | C61 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N1 | sing | 1.46Å | 1.45Å | |
| 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 | 1.35Å | 1.31Å | |
| C51 | C52 | sing | 1.51Å | 1.38Å | |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| C58 | C57 | sing | 1.47Å | 1.33Å | |
| C52 | C57 | doub | 1.40Å | 1.31Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.32Å | Aromatic |
| C57 | C56 | sing | 1.40Å | 1.32Å | Aromatic |
| C53 | C54 | doub | 1.39Å | 1.37Å | 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 | H21 | 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 | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| O40 | H46 | sing | 0.97Å | 0.95Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| N69 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C31 | 110.9° | 109.5° |
| C38 | C37 | C39 | 103.8° | 109.5° |
| C38 | C37 | H40 | 111.0° | 109.5° |
| C37 | C38 | H41 | 109.5° | 109.5° |
| C37 | C38 | H42 | 109.4° | 109.5° |
| C37 | C38 | H43 | 109.5° | 109.4° |
| C31 | C37 | C39 | 109.9° | 109.5° |
| C37 | C31 | O32 | 106.5° | 120.0° |
| C37 | C31 | C29 | 116.4° | 120.0° |
| C31 | C37 | H40 | 110.1° | 109.4° |
| C37 | C39 | O40 | 110.8° | 109.5° |
| C39 | C37 | H40 | 111.0° | 109.4° |
| C37 | C39 | H44 | 109.1° | 109.5° |
| C37 | C39 | H45 | 109.1° | 109.4° |
| O32 | C31 | C29 | 106.7° | 120.0° |
| C31 | C29 | C30 | 109.6° | 109.4° |
| C31 | C29 | N28 | 113.7° | 109.5° |
| C31 | C29 | H26 | 110.4° | 109.5° |
| O40 | C39 | H44 | 109.1° | 109.5° |
| O40 | C39 | H45 | 109.1° | 109.5° |
| C39 | O40 | H46 | 109.5° | 114.0° |
| C41 | C42 | C43 | 119.3° | 109.5° |
| C42 | C41 | C30 | 105.0° | 109.4° |
| C42 | C41 | C46 | 112.1° | 109.4° |
| C42 | C41 | H29 | 109.1° | 109.5° |
| C41 | C42 | H30 | 107.0° | 109.5° |
| C41 | C42 | H31 | 107.0° | 109.5° |
| C42 | C43 | C44 | 113.0° | 109.5° |
| C43 | C42 | H30 | 107.0° | 109.5° |
| C43 | C42 | H31 | 107.0° | 109.5° |
| C42 | C43 | H32 | 108.6° | 109.5° |
| C42 | C43 | H33 | 108.6° | 109.5° |
| C41 | C30 | C29 | 120.7° | 109.5° |
| C30 | C41 | C46 | 112.0° | 109.5° |
| C41 | C30 | H27 | 106.6° | 109.4° |
| C41 | C30 | H28 | 106.6° | 109.5° |
| C30 | C41 | H29 | 109.1° | 109.5° |
| C30 | C29 | N28 | 100.2° | 109.5° |
| C30 | C29 | H26 | 110.7° | 109.5° |
| C29 | C30 | H27 | 106.6° | 109.5° |
| C29 | C30 | H28 | 106.6° | 109.5° |
| C41 | C46 | C45 | 117.0° | 109.5° |
| C46 | C41 | H29 | 109.4° | 109.4° |
| C41 | C46 | H37 | 107.6° | 109.4° |
| C41 | C46 | H20 | 107.6° | 109.4° |
| C29 | N28 | C26 | 124.4° | 120.0° |
| C29 | N28 | H25 | 117.8° | 120.0° |
| N28 | C29 | H26 | 111.8° | 109.5° |
| C43 | C44 | C45 | 108.1° | 109.5° |
| C44 | C43 | H32 | 108.6° | 109.4° |
| C44 | C43 | H33 | 108.6° | 109.5° |
| C43 | C44 | H34 | 109.8° | 109.5° |
| C43 | C44 | H35 | 109.8° | 109.4° |
| C44 | C45 | C46 | 115.6° | 109.5° |
| C45 | C44 | H34 | 109.8° | 109.5° |
| C45 | C44 | H35 | 109.8° | 109.5° |
| C44 | C45 | H36 | 107.9° | 109.4° |
| C44 | C45 | H38 | 107.9° | 109.5° |
| C46 | C45 | H36 | 107.9° | 109.5° |
| C45 | C46 | H37 | 107.6° | 109.5° |
| C45 | C46 | H20 | 107.6° | 109.5° |
| C46 | C45 | H38 | 107.9° | 109.5° |
| N28 | C26 | O27 | 122.7° | 120.0° |
| N28 | C26 | C16 | 117.6° | 120.0° |
| C26 | N28 | H25 | 117.8° | 120.0° |
| O27 | C26 | C16 | 119.4° | 120.0° |
| C26 | C16 | C17 | 118.5° | 109.5° |
| C26 | C16 | N15 | 106.6° | 109.5° |
| C26 | C16 | H18 | 107.1° | 109.4° |
| C17 | C16 | N15 | 109.7° | 109.5° |
| C16 | C17 | C66 | 111.1° | 109.5° |
| C16 | C17 | H2 | 109.1° | 109.5° |
| C16 | C17 | H3 | 109.1° | 109.5° |
| C17 | C16 | H18 | 106.6° | 109.4° |
| C16 | N15 | C13 | 120.8° | 120.0° |
| C16 | N15 | H17 | 119.6° | 120.0° |
| N15 | C16 | H18 | 107.9° | 109.5° |
| C17 | C66 | C65 | 123.0° | 126.5° |
| C17 | C66 | C67 | 130.7° | 126.5° |
| C66 | C17 | H2 | 109.1° | 109.4° |
| C66 | C17 | H3 | 109.1° | 109.5° |
| C66 | C65 | N69 | 108.9° | 109.9° |
| C65 | C66 | C67 | 106.4° | 107.0° |
| C66 | C65 | H24 | 125.6° | 125.0° |
| C65 | N69 | C68 | 109.0° | 109.9° |
| N69 | C65 | H24 | 125.5° | 125.0° |
| C65 | N69 | H39 | 125.5° | 125.0° |
| C66 | C67 | C68 | 108.4° | 106.0° |
| C66 | C67 | C63 | 133.6° | 134.0° |
| N69 | C68 | C67 | 107.3° | 107.2° |
| N69 | C68 | C60 | 127.7° | 133.5° |
| C68 | N69 | H39 | 125.5° | 125.1° |
| N15 | C13 | O14 | 124.2° | 120.0° |
| N15 | C13 | C11 | 118.9° | 120.0° |
| C13 | N15 | H17 | 119.6° | 120.0° |
| C68 | C67 | C63 | 118.0° | 120.0° |
| C67 | C68 | C60 | 125.0° | 119.3° |
| C67 | C63 | C62 | 120.6° | 119.7° |
| C67 | C63 | H19 | 119.7° | 120.2° |
| C68 | C60 | C61 | 120.2° | 119.8° |
| C68 | C60 | H23 | 119.9° | 120.1° |
| C63 | C62 | C61 | 119.8° | 120.5° |
| C62 | C63 | H19 | 119.7° | 120.1° |
| C63 | C62 | H21 | 120.1° | 119.8° |
| C60 | C61 | C62 | 116.4° | 120.7° |
| C60 | C61 | H22 | 121.8° | 119.7° |
| C61 | C60 | H23 | 119.9° | 120.1° |
| O14 | C13 | C11 | 116.8° | 120.0° |
| C13 | C11 | C12 | 113.4° | 109.5° |
| C13 | C11 | N1 | 110.2° | 109.5° |
| C13 | C11 | H13 | 107.2° | 109.5° |
| C61 | C62 | H21 | 120.1° | 119.7° |
| C62 | C61 | H22 | 121.8° | 119.7° |
| C12 | C11 | N1 | 111.7° | 109.5° |
| C12 | C11 | H13 | 106.7° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | N1 | C2 | 125.6° | 120.1° |
| C11 | N1 | H1 | 117.2° | 120.0° |
| N1 | C11 | H13 | 107.4° | 109.5° |
| N1 | C2 | O3 | 122.1° | 119.9° |
| N1 | C2 | C50 | 117.2° | 120.0° |
| C2 | N1 | H1 | 117.2° | 119.9° |
| O3 | C2 | C50 | 120.7° | 120.0° |
| C2 | C50 | C51 | 125.9° | 126.0° |
| C2 | C50 | C58 | 126.8° | 126.0° |
| C51 | C50 | C58 | 107.2° | 107.9° |
| C50 | C51 | C52 | 106.0° | 105.5° |
| C50 | C51 | H11 | 110.3° | 110.4° |
| C50 | C51 | H12 | 110.3° | 110.1° |
| C50 | C58 | C59 | 125.6° | 124.6° |
| C50 | C58 | C57 | 110.5° | 110.8° |
| C51 | C52 | C57 | 108.4° | 106.6° |
| C51 | C52 | C53 | 131.6° | 132.9° |
| C52 | C51 | H11 | 110.3° | 110.2° |
| C52 | C51 | H12 | 110.3° | 110.3° |
| C59 | C58 | C57 | 123.9° | 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 | 107.9° | 109.1° |
| C58 | C57 | C56 | 132.8° | 131.8° |
| C57 | C52 | C53 | 120.0° | 120.4° |
| C52 | C57 | C56 | 119.2° | 119.1° |
| C52 | C53 | C54 | 123.0° | 120.0° |
| C52 | C53 | H10 | 118.5° | 120.0° |
| C57 | C56 | C55 | 123.3° | 119.9° |
| C57 | C56 | H7 | 118.3° | 120.0° |
| C53 | C54 | C55 | 117.1° | 120.2° |
| C53 | C54 | H9 | 121.5° | 119.9° |
| C54 | C53 | H10 | 118.5° | 120.0° |
| C56 | C55 | C54 | 117.5° | 120.4° |
| C55 | C56 | H7 | 118.4° | 120.1° |
| C56 | C55 | H8 | 121.3° | 119.8° |
| C54 | C55 | H8 | 121.2° | 119.8° |
| C55 | C54 | H9 | 121.5° | 119.9° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C59 | H5 | 109.5° | 109.5° |
| H4 | C59 | H6 | 109.4° | 109.5° |
| H5 | C59 | H6 | 109.5° | 109.5° |
| H11 | C51 | H12 | 109.5° | 110.2° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.4° |
| H30 | C42 | H31 | 109.5° | 109.5° |
| H32 | C43 | H33 | 109.5° | 109.5° |
| H34 | C44 | H35 | 109.4° | 109.5° |
| H36 | C45 | H38 | 109.5° | 109.4° |
| H37 | C46 | H20 | 109.5° | 109.4° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H43 | 109.4° | 109.4° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H44 | C39 | H45 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C31 | C39 | 114.3° | 120.1° |
| C38 | C37 | C31 | H40 | 123.2° | 120.0° |
| C38 | C37 | C39 | H40 | 119.3° | 120.0° |
| C38 | C37 | C31 | O32 | 162.2° | 95.0° |
| C38 | C37 | C31 | C29 | 43.5° | 84.9° |
| C38 | C37 | C39 | O40 | 155.5° | 65.0° |
| C37 | C38 | H41 | H42 | 120.0° | 120.1° |
| C37 | C38 | H41 | H43 | 120.0° | 119.9° |
| C37 | C38 | H42 | H43 | 120.0° | 120.0° |
| C38 | C37 | C39 | H44 | 35.2° | 175.0° |
| C38 | C37 | C39 | H45 | 84.3° | 55.0° |
| C31 | C37 | C39 | H40 | 122.0° | 119.9° |
| C37 | C31 | O32 | C29 | 124.9° | 179.9° |
| C31 | C37 | C39 | O40 | 36.7° | 175.0° |
| C37 | C31 | C29 | C30 | 163.7° | 75.0° |
| C37 | C31 | C29 | N28 | 85.1° | 165.0° |
| C37 | C31 | C29 | H26 | 41.5° | 44.9° |
| C31 | C37 | C38 | H41 | 180.0° | 60.1° |
| C31 | C37 | C38 | H42 | 60.0° | 60.0° |
| C31 | C37 | C38 | H43 | 60.0° | 180.0° |
| C31 | C37 | C39 | H44 | 83.5° | 54.9° |
| C31 | C37 | C39 | H45 | 157.0° | 65.0° |
| C39 | C37 | C31 | O32 | 48.0° | 25.1° |
| C39 | C37 | C31 | C29 | 70.8° | 155.0° |
| C37 | C39 | O40 | H44 | 120.2° | 120.0° |
| C37 | C39 | O40 | H45 | 120.2° | 120.0° |
| C39 | C37 | C38 | H41 | 62.0° | 60.0° |
| C39 | C37 | C38 | H42 | 58.0° | 180.0° |
| C39 | C37 | C38 | H43 | 178.0° | 60.0° |
| C37 | C39 | H44 | H45 | 119.3° | 119.9° |
| C37 | C39 | O40 | H46 | 13.6° | 180.0° |
| O32 | C31 | C29 | C30 | 77.7° | 105.0° |
| O32 | C31 | C29 | N28 | 33.5° | 14.9° |
| O32 | C31 | C29 | H26 | 160.2° | 135.0° |
| O32 | C31 | C37 | H40 | 74.6° | 145.0° |
| C31 | C29 | C30 | C41 | 127.0° | 175.0° |
| C31 | C29 | C30 | N28 | 119.9° | 120.0° |
| C31 | C29 | C30 | H26 | 122.0° | 120.0° |
| C31 | C29 | N28 | H26 | 125.9° | 120.0° |
| C31 | C29 | N28 | C26 | 129.0° | 85.0° |
| C31 | C29 | N28 | H25 | 51.0° | 94.9° |
| C31 | C29 | C30 | H27 | 5.4° | 65.0° |
| C31 | C29 | C30 | H28 | 111.5° | 55.0° |
| C29 | C31 | C37 | H40 | 166.7° | 35.1° |
| O40 | C39 | C37 | H40 | 85.3° | 55.1° |
| O40 | C39 | H44 | H45 | 119.4° | 120.0° |
| C41 | C42 | C43 | H30 | 121.4° | 120.0° |
| C41 | C42 | C43 | H31 | 121.4° | 120.0° |
| C42 | C41 | C30 | C46 | 121.9° | 120.0° |
| C42 | C41 | C30 | H29 | 116.8° | 120.0° |
| C42 | C41 | C30 | C29 | 173.3° | 65.0° |
| C42 | C41 | C46 | H29 | 121.2° | 120.0° |
| C41 | C42 | C43 | C44 | 23.5° | 60.0° |
| C42 | C41 | C46 | C45 | 31.5° | 60.0° |
| C42 | C41 | C30 | H27 | 65.1° | 175.0° |
| C42 | C41 | C30 | H28 | 51.7° | 55.1° |
| C41 | C42 | H30 | H31 | 115.6° | 120.0° |
| C41 | C42 | C43 | H32 | 97.0° | 180.0° |
| C41 | C42 | C43 | H33 | 144.1° | 60.0° |
| C42 | C41 | C46 | H37 | 152.6° | 180.0° |
| C42 | C41 | C46 | H20 | 89.6° | 60.0° |
| C43 | C42 | C41 | C30 | 144.9° | 180.0° |
| C43 | C42 | C41 | C46 | 23.1° | 60.0° |
| C42 | C43 | C44 | H32 | 120.5° | 120.0° |
| C42 | C43 | C44 | H33 | 120.5° | 120.0° |
| C42 | C43 | C44 | C45 | 60.8° | 60.0° |
| C43 | C42 | C41 | H29 | 98.3° | 60.0° |
| C43 | C42 | H30 | H31 | 115.6° | 120.0° |
| C42 | C43 | H32 | H33 | 118.4° | 120.0° |
| C42 | C43 | C44 | H34 | 179.4° | 60.0° |
| C42 | C43 | C44 | H35 | 59.0° | 180.0° |
| C41 | C30 | C29 | H27 | 121.6° | 120.0° |
| C41 | C30 | C29 | H28 | 121.6° | 120.0° |
| C30 | C41 | C46 | H29 | 121.1° | 120.1° |
| C41 | C30 | C29 | N28 | 113.2° | 65.0° |
| C30 | C41 | C46 | C45 | 149.2° | 180.0° |
| C41 | C30 | C29 | H26 | 5.0° | 55.0° |
| C41 | C30 | H27 | H28 | 114.9° | 119.9° |
| C30 | C41 | C42 | H30 | 23.6° | 60.0° |
| C30 | C41 | C42 | H31 | 93.7° | 60.0° |
| C30 | C41 | C46 | H37 | 89.7° | 60.0° |
| C30 | C41 | C46 | H20 | 28.1° | 59.9° |
| C29 | C30 | C41 | C46 | 51.4° | 175.0° |
| C30 | C29 | N28 | H26 | 117.3° | 120.0° |
| C30 | C29 | N28 | C26 | 114.2° | 155.0° |
| C30 | C29 | N28 | H25 | 65.8° | 25.0° |
| C29 | C30 | H27 | H28 | 115.0° | 120.1° |
| C29 | C30 | C41 | H29 | 69.9° | 55.0° |
| C41 | C46 | C45 | C44 | 5.5° | 60.0° |
| C41 | C46 | C45 | H37 | 121.1° | 120.0° |
| C41 | C46 | C45 | H20 | 121.1° | 120.0° |
| C46 | C41 | C30 | H27 | 173.0° | 55.0° |
| C46 | C41 | C30 | H28 | 70.2° | 64.9° |
| C46 | C41 | C42 | H30 | 98.3° | 60.0° |
| C46 | C41 | C42 | H31 | 144.5° | 180.0° |
| C41 | C46 | C45 | H36 | 115.4° | 180.0° |
| C41 | C46 | H37 | H20 | 116.6° | 119.9° |
| C41 | C46 | C45 | H38 | 126.4° | 60.0° |
| C29 | N28 | C26 | H25 | 180.0° | 180.0° |
| C29 | N28 | C26 | O27 | 2.2° | 0.0° |
| C29 | N28 | C26 | C16 | 172.4° | 180.0° |
| N28 | C29 | C30 | H27 | 125.3° | 55.0° |
| N28 | C29 | C30 | H28 | 8.4° | 175.0° |
| C43 | C44 | C45 | H34 | 119.8° | 120.1° |
| C43 | C44 | C45 | H35 | 119.8° | 120.0° |
| C43 | C44 | C45 | C46 | 52.2° | 60.0° |
| C44 | C43 | C42 | H30 | 144.9° | 60.0° |
| C44 | C43 | C42 | H31 | 97.8° | 180.0° |
| C44 | C43 | H32 | H33 | 118.4° | 120.0° |
| C43 | C44 | H34 | H35 | 120.6° | 120.0° |
| C43 | C44 | C45 | H36 | 68.7° | 180.0° |
| C43 | C44 | C45 | H38 | 173.0° | 60.0° |
| C44 | C45 | C46 | H36 | 120.9° | 120.0° |
| C44 | C45 | C46 | H38 | 120.9° | 120.0° |
| C45 | C44 | C43 | H32 | 59.7° | 180.0° |
| C45 | C44 | C43 | H33 | 178.7° | 60.0° |
| C45 | C44 | H34 | H35 | 120.6° | 120.0° |
| C44 | C45 | H36 | H38 | 117.2° | 120.0° |
| C44 | C45 | C46 | H37 | 115.6° | 180.0° |
| C44 | C45 | C46 | H20 | 126.5° | 60.0° |
| C45 | C46 | C41 | H29 | 89.7° | 60.0° |
| C46 | C45 | C44 | H34 | 172.0° | 60.0° |
| C46 | C45 | C44 | H35 | 67.7° | 180.0° |
| C46 | C45 | H36 | H38 | 117.2° | 120.0° |
| C45 | C46 | H37 | H20 | 116.6° | 120.0° |
| N28 | C26 | O27 | C16 | 174.5° | 180.0° |
| N28 | C26 | C16 | C17 | 80.5° | 60.0° |
| N28 | C26 | C16 | N15 | 155.3° | 180.0° |
| N28 | C26 | C16 | H18 | 40.1° | 60.0° |
| C26 | N28 | C29 | H26 | 3.1° | 35.0° |
| O27 | C26 | C16 | C17 | 104.7° | 120.0° |
| O27 | C26 | C16 | N15 | 19.5° | 0.0° |
| O27 | C26 | C16 | H18 | 134.8° | 120.0° |
| O27 | C26 | N28 | H25 | 177.8° | 180.0° |
| C26 | C16 | C17 | N15 | 122.6° | 120.1° |
| C26 | C16 | C17 | H18 | 120.8° | 119.9° |
| C26 | C16 | N15 | H18 | 114.8° | 120.0° |
| C26 | C16 | C17 | C66 | 128.8° | 174.6° |
| C26 | C16 | N15 | C13 | 135.2° | 87.8° |
| C26 | C16 | C17 | H2 | 110.9° | 65.4° |
| C26 | C16 | C17 | H3 | 8.6° | 54.5° |
| C26 | C16 | N15 | H17 | 44.8° | 92.2° |
| C16 | C26 | N28 | H25 | 7.6° | 0.0° |
| C17 | C16 | N15 | H18 | 115.8° | 120.0° |
| C16 | C17 | C66 | H2 | 120.3° | 120.0° |
| C16 | C17 | C66 | H3 | 120.3° | 120.1° |
| C16 | C17 | C66 | C65 | 11.8° | 92.4° |
| C16 | C17 | C66 | C67 | 167.6° | 87.4° |
| C17 | C16 | N15 | C13 | 95.4° | 152.2° |
| C16 | C17 | H2 | H3 | 119.3° | 120.0° |
| C17 | C16 | N15 | H17 | 84.6° | 27.9° |
| N15 | C16 | C17 | C66 | 108.6° | 65.4° |
| C16 | N15 | C13 | H17 | 180.0° | 180.0° |
| C16 | N15 | C13 | O14 | 4.0° | 5.2° |
| C16 | N15 | C13 | C11 | 179.5° | 174.8° |
| N15 | C16 | C17 | H2 | 11.7° | 54.6° |
| N15 | C16 | C17 | H3 | 131.2° | 174.6° |
| C17 | C66 | C65 | C67 | 179.5° | 179.8° |
| C17 | C66 | C65 | N69 | 179.8° | 180.0° |
| C17 | C66 | C67 | C68 | 179.3° | 180.0° |
| C17 | C66 | C67 | C63 | 0.3° | 0.0° |
| C66 | C17 | H2 | H3 | 119.2° | 120.0° |
| C66 | C17 | C16 | H18 | 8.0° | 54.6° |
| C17 | C66 | C65 | H24 | 0.2° | 0.0° |
| C66 | C65 | N69 | H24 | 180.0° | 180.0° |
| C66 | C65 | N69 | C68 | 0.1° | 0.1° |
| C65 | C66 | C67 | C68 | 1.2° | 0.2° |
| C65 | C66 | C67 | C63 | 179.8° | 179.8° |
| C65 | C66 | C17 | H2 | 132.1° | 147.6° |
| C65 | C66 | C17 | H3 | 108.5° | 27.7° |
| C66 | C65 | N69 | H39 | 179.9° | 180.0° |
| N69 | C65 | C66 | C67 | 0.7° | 0.2° |
| C65 | N69 | C68 | H39 | 180.0° | 179.9° |
| C65 | N69 | C68 | C67 | 0.8° | 0.0° |
| C65 | N69 | C68 | C60 | 180.0° | 179.9° |
| C66 | C67 | C68 | N69 | 1.2° | 0.2° |
| C66 | C67 | C68 | C63 | 179.2° | 180.0° |
| C66 | C67 | C68 | C60 | 179.6° | 180.0° |
| C66 | C67 | C63 | C62 | 178.9° | 180.0° |
| C67 | C66 | C17 | H2 | 47.3° | 32.6° |
| C67 | C66 | C17 | H3 | 72.2° | 152.5° |
| C66 | C67 | C63 | H19 | 1.1° | 0.0° |
| C67 | C66 | C65 | H24 | 179.3° | 179.8° |
| N69 | C68 | C67 | C60 | 179.2° | 179.8° |
| N69 | C68 | C67 | C63 | 179.5° | 179.8° |
| N69 | C68 | C60 | C61 | 179.5° | 179.8° |
| N69 | C68 | C60 | H23 | 0.5° | 0.2° |
| C68 | N69 | C65 | H24 | 179.9° | 179.9° |
| N15 | C13 | O14 | C11 | 175.6° | 180.0° |
| N15 | C13 | C11 | C12 | 10.1° | 85.3° |
| N15 | C13 | C11 | N1 | 136.1° | 154.7° |
| N15 | C13 | C11 | H13 | 107.4° | 34.8° |
| C13 | N15 | C16 | H18 | 20.4° | 32.2° |
| C68 | C67 | C63 | C62 | 0.0° | 0.0° |
| C67 | C68 | C60 | C61 | 0.5° | 0.0° |
| C68 | C67 | C63 | H19 | 180.0° | 180.0° |
| C67 | C68 | C60 | H23 | 179.5° | 180.0° |
| C67 | C68 | N69 | H39 | 179.1° | 179.9° |
| C63 | C67 | C68 | C60 | 0.4° | 0.0° |
| C67 | C63 | C62 | H19 | 180.0° | 180.0° |
| C67 | C63 | C62 | C61 | 0.3° | 0.0° |
| C67 | C63 | C62 | H21 | 179.7° | 180.0° |
| C68 | C60 | C61 | H23 | 180.0° | 179.9° |
| C68 | C60 | C61 | C62 | 0.1° | 0.0° |
| C68 | C60 | C61 | H22 | 179.8° | 180.0° |
| C60 | C68 | N69 | H39 | 0.0° | 0.1° |
| C63 | C62 | C61 | C60 | 0.2° | 0.0° |
| C63 | C62 | C61 | H21 | 180.0° | 180.0° |
| C63 | C62 | C61 | H22 | 179.8° | 179.9° |
| C60 | C61 | C62 | H22 | 180.0° | 180.0° |
| C60 | C61 | C62 | H21 | 179.8° | 180.0° |
| O14 | C13 | C11 | C12 | 174.1° | 94.7° |
| O14 | C13 | C11 | N1 | 48.1° | 25.3° |
| O14 | C13 | C11 | H13 | 68.4° | 145.3° |
| O14 | C13 | N15 | H17 | 176.0° | 174.8° |
| C13 | C11 | C12 | N1 | 125.2° | 120.0° |
| C13 | C11 | C12 | H13 | 117.8° | 120.0° |
| C13 | C11 | N1 | H13 | 116.4° | 120.0° |
| C13 | C11 | N1 | C2 | 91.2° | 155.0° |
| C13 | C11 | N1 | H1 | 88.8° | 25.0° |
| C13 | C11 | C12 | H14 | 180.0° | 55.3° |
| C13 | C11 | C12 | H15 | 60.0° | 175.3° |
| C13 | C11 | C12 | H16 | 60.0° | 64.7° |
| C11 | C13 | N15 | H17 | 0.5° | 5.2° |
| C61 | C62 | C63 | H19 | 179.7° | 180.0° |
| C62 | C61 | C60 | H23 | 179.8° | 179.9° |
| C12 | C11 | N1 | H13 | 116.6° | 120.0° |
| C12 | C11 | N1 | C2 | 35.8° | 85.0° |
| C12 | C11 | N1 | H1 | 144.2° | 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 | 5.1° | 0.0° |
| C11 | N1 | C2 | C50 | 177.3° | 180.0° |
| N1 | C11 | C12 | H14 | 54.8° | 64.7° |
| N1 | C11 | C12 | H15 | 174.8° | 55.3° |
| N1 | C11 | C12 | H16 | 65.2° | 175.3° |
| N1 | C2 | O3 | C50 | 177.5° | 180.0° |
| N1 | C2 | C50 | C51 | 1.9° | 0.0° |
| N1 | C2 | C50 | C58 | 177.8° | 179.6° |
| C2 | N1 | C11 | H13 | 152.4° | 35.0° |
| O3 | C2 | C50 | C51 | 175.7° | 180.0° |
| O3 | C2 | C50 | C58 | 4.6° | 0.4° |
| O3 | C2 | N1 | H1 | 174.9° | 180.0° |
| C2 | C50 | C51 | C58 | 179.8° | 179.7° |
| C2 | C50 | C51 | C52 | 178.9° | 180.0° |
| C2 | C50 | C58 | C59 | 3.2° | 0.3° |
| C2 | C50 | C58 | C57 | 178.9° | 180.0° |
| C50 | C2 | N1 | H1 | 2.7° | 0.0° |
| C2 | C50 | C51 | H11 | 61.7° | 60.9° |
| C2 | C50 | C51 | H12 | 59.4° | 61.0° |
| C50 | C51 | C52 | H11 | 119.4° | 119.2° |
| C50 | C51 | C52 | H12 | 119.4° | 118.9° |
| C51 | C50 | C58 | C59 | 177.0° | 179.9° |
| C51 | C50 | C58 | C57 | 0.9° | 0.4° |
| C50 | C51 | C52 | C57 | 0.6° | 0.1° |
| C50 | C51 | C52 | C53 | 179.4° | 179.7° |
| C50 | C51 | H11 | H12 | 121.6° | 121.9° |
| C58 | C50 | C51 | C52 | 0.9° | 0.3° |
| C50 | C58 | C59 | C57 | 177.6° | 179.7° |
| C50 | C58 | C57 | C52 | 0.5° | 0.3° |
| C50 | C58 | C57 | C56 | 177.0° | 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 | 118.6° | 118.8° |
| C58 | C50 | C51 | H12 | 120.3° | 119.3° |
| C51 | C52 | C57 | C58 | 0.1° | 0.1° |
| C51 | C52 | C57 | C53 | 180.0° | 179.9° |
| C51 | C52 | C57 | C56 | 178.0° | 180.0° |
| C51 | C52 | C53 | C54 | 179.8° | 179.9° |
| C51 | C52 | C53 | H10 | 0.2° | 0.1° |
| C52 | C51 | H11 | H12 | 121.6° | 121.9° |
| C59 | C58 | C57 | C52 | 177.5° | 180.0° |
| C59 | C58 | C57 | C56 | 5.0° | 0.0° |
| C58 | C59 | H4 | H5 | 120.0° | 120.0° |
| C58 | C59 | H4 | H6 | 120.0° | 120.0° |
| C58 | C59 | H5 | H6 | 120.0° | 120.0° |
| C58 | C57 | C52 | C56 | 177.9° | 180.0° |
| C58 | C57 | C52 | C53 | 179.9° | 180.0° |
| C58 | C57 | C56 | C55 | 179.6° | 180.0° |
| C57 | C58 | C59 | H4 | 2.3° | 0.1° |
| C57 | C58 | C59 | H5 | 122.4° | 120.0° |
| C57 | C58 | C59 | H6 | 117.6° | 119.9° |
| C58 | C57 | C56 | H7 | 0.4° | 0.0° |
| C57 | C52 | C53 | C54 | 0.2° | 0.0° |
| C52 | C57 | C56 | C55 | 2.3° | 0.0° |
| C52 | C57 | C56 | H7 | 177.7° | 179.9° |
| C57 | C52 | C53 | H10 | 179.8° | 180.0° |
| C57 | C52 | C51 | H11 | 118.8° | 119.0° |
| C57 | C52 | C51 | H12 | 120.1° | 119.1° |
| C53 | C52 | C57 | C56 | 2.0° | 0.1° |
| C52 | C53 | C54 | H10 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 1.3° | 0.0° |
| C52 | C53 | C54 | H9 | 178.7° | 179.9° |
| C53 | C52 | C51 | H11 | 61.2° | 61.1° |
| C53 | C52 | C51 | H12 | 59.9° | 60.8° |
| C57 | C56 | C55 | H7 | 180.0° | 179.9° |
| C57 | C56 | C55 | C54 | 0.7° | 0.0° |
| C57 | C56 | C55 | H8 | 179.2° | 180.0° |
| C53 | C54 | C55 | C56 | 1.0° | 0.0° |
| C53 | C54 | C55 | H9 | 180.0° | 179.9° |
| C53 | C54 | C55 | H8 | 179.0° | 180.0° |
| C56 | C55 | C54 | H8 | 180.0° | 180.0° |
| C56 | C55 | C54 | H9 | 179.0° | 179.9° |
| C54 | C55 | C56 | H7 | 179.3° | 180.0° |
| C55 | C54 | C53 | H10 | 178.7° | 179.9° |
| H1 | N1 | C11 | H13 | 27.6° | 145.0° |
| H2 | C17 | C16 | H18 | 128.3° | 174.6° |
| H3 | C17 | C16 | H18 | 112.2° | 65.4° |
| H4 | C59 | H5 | H6 | 120.0° | 120.0° |
| H7 | C56 | C55 | H8 | 0.7° | 0.1° |
| H8 | C55 | C54 | H9 | 1.0° | 0.1° |
| H9 | C54 | C53 | H10 | 1.3° | 0.1° |
| H13 | C11 | C12 | H14 | 62.2° | 175.3° |
| H13 | C11 | C12 | H15 | 57.8° | 64.7° |
| H13 | C11 | C12 | H16 | 177.7° | 55.3° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| H17 | N15 | C16 | H18 | 159.6° | 147.8° |
| H19 | C63 | C62 | H21 | 0.3° | 0.0° |
| H21 | C62 | C61 | H22 | 0.2° | 0.0° |
| H22 | C61 | C60 | H23 | 0.2° | 0.1° |
| H24 | C65 | N69 | H39 | 0.1° | 0.0° |
| H25 | N28 | C29 | H26 | 176.9° | 145.0° |
| H26 | C29 | C30 | H27 | 116.6° | 175.0° |
| H26 | C29 | C30 | H28 | 126.6° | 65.0° |
| H27 | C30 | C41 | H29 | 51.7° | 65.1° |
| H28 | C30 | C41 | H29 | 168.6° | 175.1° |
| H29 | C41 | C42 | H30 | 140.3° | 179.9° |
| H29 | C41 | C42 | H31 | 23.1° | 60.0° |
| H29 | C41 | C46 | H37 | 31.4° | 60.1° |
| H29 | C41 | C46 | H20 | 149.2° | 180.0° |
| H30 | C42 | C43 | H32 | 24.4° | 60.0° |
| H30 | C42 | C43 | H33 | 94.5° | 180.0° |
| H31 | C42 | C43 | H32 | 141.7° | 60.0° |
| H31 | C42 | C43 | H33 | 22.7° | 60.0° |
| H32 | C43 | C44 | H34 | 60.1° | 60.0° |
| H32 | C43 | C44 | H35 | 179.5° | 60.0° |
| H33 | C43 | C44 | H34 | 58.9° | 180.0° |
| H33 | C43 | C44 | H35 | 61.5° | 60.0° |
| H34 | C44 | C45 | H36 | 51.0° | 60.0° |
| H34 | C44 | C45 | H38 | 67.2° | 179.9° |
| H35 | C44 | C45 | H36 | 171.4° | 60.0° |
| H35 | C44 | C45 | H38 | 53.2° | 60.0° |
| H36 | C45 | C46 | H37 | 123.5° | 60.0° |
| H36 | C45 | C46 | H20 | 5.6° | 60.0° |
| H37 | C46 | C45 | H38 | 5.3° | 60.0° |
| H40 | C37 | C38 | H41 | 57.3° | 180.0° |
| H40 | C37 | C38 | H42 | 177.3° | 59.9° |
| H40 | C37 | C38 | H43 | 62.7° | 60.0° |
| H40 | C37 | C39 | H44 | 154.5° | 65.0° |
| H40 | C37 | C39 | H45 | 34.9° | 175.1° |
| H41 | C38 | H42 | H43 | 120.0° | 120.0° |
| H44 | C39 | O40 | H46 | 106.6° | 60.0° |
| H45 | C39 | O40 | H46 | 133.8° | 60.1° |
| H20 | C46 | C45 | H38 | 112.6° | NaN° |
