39Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C37 | sing | 1.51Å | 1.53Å | |
| C31 | O32 | doub | 1.21Å | 1.36Å | |
| C31 | C29 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.49Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C41 | sing | 1.51Å | 1.39Å | |
| C42 | C41 | doub | 1.38Å | 1.37Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | O40 | sing | 1.43Å | 1.44Å | |
| C29 | N28 | sing | 1.46Å | 1.47Å | |
| C41 | C46 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.37Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.33Å | |
| C44 | C45 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | O27 | doub | 1.21Å | 1.21Å | |
| C26 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | N15 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.38Å | |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.31Å | |
| C20 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | O14 | doub | 1.21Å | 1.21Å | |
| C13 | C11 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| O3 | C2 | doub | 1.21Å | 1.21Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | O8 | sing | 1.43Å | 1.41Å | |
| N5 | C10 | sing | 1.47Å | 1.46Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | C4 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | O8 | sing | 1.43Å | 1.42Å | |
| C2 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.35Å | 1.31Å | |
| C21 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.35Å | |
| C11 | N1 | sing | 1.47Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.08Å | 1.08Å | |
| C45 | H33 | sing | 1.08Å | 1.08Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C43 | H35 | sing | 1.08Å | 1.08Å | |
| C42 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| O40 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C31 | O32 | 110.0° | 120.0° |
| C37 | C31 | C29 | 116.1° | 120.0° |
| C31 | C37 | C38 | 108.7° | 109.5° |
| C31 | C37 | C39 | 110.0° | 109.4° |
| C31 | C37 | H39 | 110.1° | 109.5° |
| O32 | C31 | C29 | 104.6° | 120.0° |
| C31 | C29 | C30 | 107.0° | 109.5° |
| C31 | C29 | N28 | 111.9° | 109.5° |
| C31 | C29 | H29 | 110.3° | 109.5° |
| C38 | C37 | C39 | 107.0° | 109.5° |
| C38 | C37 | H39 | 110.6° | 109.5° |
| C37 | C38 | H40 | 109.5° | 109.5° |
| C37 | C38 | H41 | 109.5° | 109.5° |
| C37 | C38 | H42 | 109.5° | 109.5° |
| C37 | C39 | O40 | 109.7° | 109.4° |
| C39 | C37 | H39 | 110.3° | 109.5° |
| C37 | C39 | H43 | 109.4° | 109.5° |
| C37 | C39 | H44 | 109.4° | 109.5° |
| C29 | C30 | C41 | 118.8° | 109.4° |
| C30 | C29 | N28 | 105.8° | 109.5° |
| C30 | C29 | H29 | 110.3° | 109.4° |
| C29 | C30 | H30 | 107.1° | 109.5° |
| C29 | C30 | H31 | 107.1° | 109.5° |
| C30 | C41 | C42 | 118.2° | 120.0° |
| C30 | C41 | C46 | 123.8° | 120.0° |
| C41 | C30 | H30 | 107.1° | 109.5° |
| C41 | C30 | H31 | 107.1° | 109.5° |
| C41 | C42 | C43 | 121.6° | 120.0° |
| C42 | C41 | C46 | 118.0° | 120.0° |
| C41 | C42 | H36 | 119.2° | 120.0° |
| C42 | C43 | C44 | 120.1° | 120.0° |
| C42 | C43 | H35 | 120.0° | 120.0° |
| C43 | C42 | H36 | 119.2° | 120.0° |
| O40 | C39 | H43 | 109.4° | 109.5° |
| O40 | C39 | H44 | 109.4° | 109.5° |
| C39 | O40 | H45 | 109.5° | 114.0° |
| C29 | N28 | C26 | 123.3° | 120.0° |
| C29 | N28 | H28 | 118.3° | 120.0° |
| N28 | C29 | H29 | 111.3° | 109.5° |
| C41 | C46 | C45 | 120.4° | 120.0° |
| C41 | C46 | H32 | 119.8° | 120.0° |
| C43 | C44 | C45 | 118.8° | 120.0° |
| C43 | C44 | H34 | 120.6° | 120.0° |
| C44 | C43 | H35 | 119.9° | 120.0° |
| C46 | C45 | C44 | 121.1° | 120.0° |
| C45 | C46 | H32 | 119.7° | 120.0° |
| C46 | C45 | H33 | 119.4° | 120.0° |
| N28 | C26 | O27 | 122.7° | 120.0° |
| N28 | C26 | C16 | 117.4° | 120.0° |
| C26 | N28 | H28 | 118.4° | 120.0° |
| C44 | C45 | H33 | 119.5° | 120.0° |
| C45 | C44 | H34 | 120.6° | 120.0° |
| O27 | C26 | C16 | 119.9° | 120.0° |
| C26 | C16 | C17 | 111.5° | 109.5° |
| C26 | C16 | N15 | 110.7° | 109.5° |
| C26 | C16 | H22 | 109.1° | 109.5° |
| C17 | C16 | N15 | 106.0° | 109.5° |
| C16 | C17 | C18 | 110.3° | 109.5° |
| C16 | C17 | H10 | 109.3° | 109.4° |
| C16 | C17 | H11 | 109.3° | 109.5° |
| C17 | C16 | H22 | 109.4° | 109.5° |
| C16 | N15 | C13 | 121.7° | 120.0° |
| C16 | N15 | H21 | 119.2° | 120.0° |
| N15 | C16 | H22 | 110.2° | 109.4° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | C25 | 121.4° | 119.9° |
| C18 | C17 | H10 | 109.3° | 109.5° |
| C18 | C17 | H11 | 109.3° | 109.5° |
| C18 | C19 | C20 | 120.9° | 120.1° |
| C19 | C18 | C25 | 118.8° | 120.1° |
| C18 | C19 | H27 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.7° | 119.9° |
| C19 | C20 | H12 | 119.6° | 120.0° |
| C20 | C19 | H27 | 119.5° | 120.0° |
| C18 | C25 | C24 | 120.7° | 120.1° |
| C18 | C25 | H23 | 119.6° | 120.0° |
| N15 | C13 | O14 | 124.0° | 120.0° |
| N15 | C13 | C11 | 117.3° | 120.0° |
| C13 | N15 | H21 | 119.2° | 120.0° |
| C20 | C21 | C24 | 118.8° | 119.9° |
| C20 | C21 | O22 | 118.6° | 120.1° |
| C21 | C20 | H12 | 119.7° | 120.1° |
| O14 | C13 | C11 | 118.6° | 120.0° |
| C13 | C11 | N1 | 105.3° | 109.5° |
| C13 | C11 | C12 | 110.3° | 109.5° |
| C13 | C11 | H17 | 111.8° | 109.4° |
| C25 | C24 | C21 | 120.1° | 119.9° |
| C25 | C24 | H13 | 120.0° | 120.1° |
| C24 | C25 | H23 | 119.7° | 120.0° |
| O3 | C2 | C4 | 121.2° | 120.0° |
| O3 | C2 | N1 | 123.5° | 120.0° |
| C10 | C9 | O8 | 106.3° | 109.3° |
| C9 | C10 | N5 | 110.3° | 109.3° |
| C9 | C10 | H8 | 109.3° | 109.5° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C10 | C9 | H14 | 110.3° | 109.5° |
| C10 | C9 | H15 | 110.3° | 109.5° |
| C9 | O8 | C7 | 112.5° | 113.7° |
| O8 | C9 | H14 | 110.2° | 109.5° |
| O8 | C9 | H15 | 110.2° | 109.5° |
| C10 | N5 | C6 | 115.2° | 110.8° |
| C10 | N5 | C4 | 105.3° | 111.0° |
| N5 | C10 | H8 | 109.2° | 109.5° |
| N5 | C10 | H9 | 109.2° | 109.6° |
| C6 | N5 | C4 | 109.3° | 111.0° |
| N5 | C6 | C7 | 110.1° | 109.3° |
| N5 | C6 | H4 | 109.3° | 109.5° |
| N5 | C6 | H5 | 109.3° | 109.5° |
| N5 | C4 | C2 | 109.2° | 109.5° |
| N5 | C4 | H2 | 109.5° | 109.4° |
| N5 | C4 | H3 | 109.5° | 109.5° |
| C6 | C7 | O8 | 106.0° | 109.3° |
| C7 | C6 | H4 | 109.3° | 109.5° |
| C7 | C6 | H5 | 109.3° | 109.6° |
| C6 | C7 | H6 | 110.4° | 109.5° |
| C6 | C7 | H7 | 110.3° | 109.5° |
| O8 | C7 | H6 | 110.3° | 109.5° |
| O8 | C7 | H7 | 110.4° | 109.5° |
| C4 | C2 | N1 | 115.3° | 120.0° |
| C2 | C4 | H2 | 109.6° | 109.5° |
| C2 | C4 | H3 | 109.5° | 109.5° |
| C2 | N1 | C11 | 120.1° | 120.0° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| C24 | C21 | O22 | 122.6° | 120.0° |
| C21 | C24 | H13 | 119.9° | 120.1° |
| C21 | O22 | C23 | 113.7° | 117.0° |
| N1 | C11 | C12 | 104.8° | 109.5° |
| C11 | N1 | H1 | 119.9° | 120.0° |
| N1 | C11 | H17 | 112.8° | 109.5° |
| C12 | C11 | H17 | 111.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.4° | 109.5° |
| O22 | C23 | H24 | 109.5° | 109.5° |
| O22 | C23 | H25 | 109.5° | 109.4° |
| O22 | C23 | H26 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.6° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H20 | 109.4° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.4° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.4° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H40 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.4° |
| H43 | C39 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C31 | O32 | C29 | 125.4° | 180.0° |
| C31 | C37 | C38 | C39 | 118.7° | 119.9° |
| C31 | C37 | C38 | H39 | 121.0° | 120.0° |
| C31 | C37 | C39 | H39 | 121.7° | 120.0° |
| C37 | C31 | C29 | C30 | 170.5° | 75.0° |
| C31 | C37 | C39 | O40 | 40.0° | 175.0° |
| C37 | C31 | C29 | N28 | 74.0° | 165.0° |
| C37 | C31 | C29 | H29 | 50.5° | 45.0° |
| C31 | C37 | C38 | H40 | 180.0° | 60.0° |
| C31 | C37 | C38 | H41 | 60.0° | 60.0° |
| C31 | C37 | C38 | H42 | 60.0° | 180.0° |
| C31 | C37 | C39 | H43 | 80.0° | 55.0° |
| C31 | C37 | C39 | H44 | 160.1° | 65.0° |
| O32 | C31 | C37 | C38 | 159.7° | 95.0° |
| O32 | C31 | C37 | C39 | 42.8° | 25.0° |
| O32 | C31 | C29 | C30 | 68.0° | 105.0° |
| O32 | C31 | C29 | N28 | 47.4° | 15.0° |
| O32 | C31 | C29 | H29 | 171.9° | 135.0° |
| O32 | C31 | C37 | H39 | 79.0° | 145.0° |
| C29 | C31 | C37 | C38 | 41.1° | 85.0° |
| C29 | C31 | C37 | C39 | 75.8° | 155.0° |
| C31 | C29 | C30 | N28 | 119.5° | 120.0° |
| C31 | C29 | C30 | H29 | 120.0° | 120.0° |
| C31 | C29 | C30 | C41 | 159.6° | 175.0° |
| C31 | C29 | N28 | H29 | 123.9° | 120.0° |
| C31 | C29 | N28 | C26 | 127.6° | 85.0° |
| C31 | C29 | N28 | H28 | 52.4° | 95.1° |
| C31 | C29 | C30 | H30 | 79.1° | 65.0° |
| C31 | C29 | C30 | H31 | 38.3° | 54.9° |
| C29 | C31 | C37 | H39 | 162.4° | 35.0° |
| C38 | C37 | C39 | H39 | 120.4° | 120.0° |
| C38 | C37 | C39 | O40 | 157.9° | 65.1° |
| C37 | C38 | H40 | H41 | 120.0° | 120.0° |
| C37 | C38 | H40 | H42 | 120.0° | 120.0° |
| C37 | C38 | H41 | H42 | 120.0° | 119.9° |
| C38 | C37 | C39 | H43 | 37.9° | 175.0° |
| C38 | C37 | C39 | H44 | 82.1° | 54.9° |
| C37 | C39 | O40 | H43 | 120.0° | 120.0° |
| C37 | C39 | O40 | H44 | 120.0° | 120.0° |
| C39 | C37 | C38 | H40 | 61.3° | 59.9° |
| C39 | C37 | C38 | H41 | 58.8° | 180.0° |
| C39 | C37 | C38 | H42 | 178.7° | 60.1° |
| C37 | C39 | H43 | H44 | 119.9° | 120.0° |
| C37 | C39 | O40 | H45 | 20.5° | 180.0° |
| C29 | C30 | C41 | H30 | 121.3° | 120.0° |
| C29 | C30 | C41 | H31 | 121.3° | 120.1° |
| C29 | C30 | C41 | C42 | 179.9° | 89.8° |
| C30 | C29 | N28 | H29 | 119.8° | 120.0° |
| C29 | C30 | C41 | C46 | 0.3° | 90.0° |
| C30 | C29 | N28 | C26 | 116.2° | 155.0° |
| C30 | C29 | N28 | H28 | 63.8° | 24.9° |
| C29 | C30 | H30 | H31 | 115.7° | 120.0° |
| C30 | C41 | C42 | C46 | 179.7° | 179.8° |
| C30 | C41 | C42 | C43 | 179.7° | 180.0° |
| C41 | C30 | C29 | N28 | 80.9° | 65.0° |
| C30 | C41 | C46 | C45 | 179.5° | 179.8° |
| C41 | C30 | C29 | H29 | 39.6° | 55.0° |
| C41 | C30 | H30 | H31 | 115.8° | 120.0° |
| C30 | C41 | C46 | H32 | 0.5° | 0.0° |
| C30 | C41 | C42 | H36 | 0.3° | 0.0° |
| C41 | C42 | C43 | H36 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.0° | 0.0° |
| C42 | C41 | C46 | C45 | 0.2° | 0.4° |
| C42 | C41 | C30 | H30 | 58.6° | 150.2° |
| C42 | C41 | C30 | H31 | 58.8° | 30.3° |
| C42 | C41 | C46 | H32 | 179.8° | 179.8° |
| C41 | C42 | C43 | H35 | 180.0° | 180.0° |
| C43 | C42 | C41 | C46 | 0.0° | 0.2° |
| C42 | C43 | C44 | H35 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.1° | 0.1° |
| C42 | C43 | C44 | H34 | 179.8° | 180.0° |
| O40 | C39 | C37 | H39 | 81.7° | 55.0° |
| O40 | C39 | H43 | H44 | 119.9° | 120.0° |
| C29 | N28 | C26 | H28 | 180.0° | 179.9° |
| C29 | N28 | C26 | O27 | 4.1° | 0.0° |
| C29 | N28 | C26 | C16 | 175.2° | 180.0° |
| N28 | C29 | C30 | H30 | 40.4° | 55.0° |
| N28 | C29 | C30 | H31 | 157.8° | 174.9° |
| C41 | C46 | C45 | H32 | 180.0° | 179.8° |
| C41 | C46 | C45 | C44 | 0.3° | 0.4° |
| C46 | C41 | C30 | H30 | 121.1° | 30.0° |
| C46 | C41 | C30 | H31 | 121.6° | 149.9° |
| C41 | C46 | C45 | H33 | 179.7° | 179.7° |
| C46 | C41 | C42 | H36 | 180.0° | 179.8° |
| C43 | C44 | C45 | C46 | 0.3° | 0.1° |
| C43 | C44 | C45 | H34 | 180.0° | 179.9° |
| C43 | C44 | C45 | H33 | 179.7° | 179.9° |
| C44 | C43 | C42 | H36 | 180.0° | 180.0° |
| C46 | C45 | C44 | H33 | 180.0° | 179.9° |
| C46 | C45 | C44 | H34 | 179.7° | 179.8° |
| N28 | C26 | O27 | C16 | 179.3° | 180.0° |
| N28 | C26 | C16 | C17 | 71.8° | 60.0° |
| N28 | C26 | C16 | N15 | 170.5° | 180.0° |
| N28 | C26 | C16 | H22 | 49.1° | 60.0° |
| C26 | N28 | C29 | H29 | 3.6° | 35.0° |
| C44 | C45 | C46 | H32 | 179.7° | 179.8° |
| C45 | C44 | C43 | H35 | 179.9° | 180.0° |
| O27 | C26 | C16 | C17 | 108.9° | 120.0° |
| O27 | C26 | C16 | N15 | 8.8° | 0.0° |
| O27 | C26 | C16 | H22 | 130.2° | 119.9° |
| O27 | C26 | N28 | H28 | 175.9° | 179.9° |
| C26 | C16 | C17 | N15 | 120.5° | 120.0° |
| C26 | C16 | C17 | H22 | 120.7° | 120.0° |
| C26 | C16 | N15 | H22 | 120.8° | 120.0° |
| C26 | C16 | C17 | C18 | 172.7° | 175.0° |
| C26 | C16 | N15 | C13 | 121.3° | 155.0° |
| C26 | C16 | C17 | H10 | 67.2° | 65.0° |
| C26 | C16 | C17 | H11 | 52.6° | 55.0° |
| C26 | C16 | N15 | H21 | 58.7° | 25.0° |
| C16 | C26 | N28 | H28 | 4.8° | 0.0° |
| C17 | C16 | N15 | H22 | 118.2° | 120.0° |
| C16 | C17 | C18 | H10 | 120.1° | 120.0° |
| C16 | C17 | C18 | H11 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 103.3° | 89.7° |
| C16 | C17 | C18 | C25 | 77.9° | 90.0° |
| C17 | C16 | N15 | C13 | 117.7° | 85.0° |
| C16 | C17 | H10 | H11 | 119.6° | 120.0° |
| C17 | C16 | N15 | H21 | 62.3° | 95.0° |
| N15 | C16 | C17 | C18 | 66.8° | 65.0° |
| C16 | N15 | C13 | H21 | 180.0° | 180.0° |
| C16 | N15 | C13 | O14 | 3.6° | 0.0° |
| C16 | N15 | C13 | C11 | 178.7° | 180.0° |
| N15 | C16 | C17 | H10 | 53.3° | 55.0° |
| N15 | C16 | C17 | H11 | 173.1° | 175.0° |
| C17 | C18 | C19 | C25 | 178.9° | 179.7° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C25 | C24 | 179.7° | 179.8° |
| C18 | C17 | H10 | H11 | 119.6° | 120.0° |
| C18 | C17 | C16 | H22 | 52.0° | 55.0° |
| C17 | C18 | C25 | H23 | 0.3° | 0.1° |
| C17 | C18 | C19 | H27 | 0.2° | 0.1° |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.1° |
| C19 | C18 | C25 | C24 | 0.9° | 0.6° |
| C19 | C18 | C17 | H10 | 136.6° | 150.3° |
| C19 | C18 | C17 | H11 | 16.9° | 30.4° |
| C18 | C19 | C20 | H12 | 179.3° | 179.9° |
| C19 | C18 | C25 | H23 | 179.2° | 179.7° |
| C20 | C19 | C18 | C25 | 0.9° | 0.4° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | C24 | 0.4° | 0.0° |
| C19 | C20 | C21 | O22 | 179.6° | 179.9° |
| C18 | C25 | C24 | H23 | 180.0° | 179.7° |
| C18 | C25 | C24 | C21 | 0.6° | 0.5° |
| C25 | C18 | C17 | H10 | 42.3° | 30.0° |
| C25 | C18 | C17 | H11 | 162.0° | 150.0° |
| C18 | C25 | C24 | H13 | 179.4° | 179.7° |
| C25 | C18 | C19 | H27 | 179.1° | 179.8° |
| N15 | C13 | O14 | C11 | 177.6° | 180.0° |
| N15 | C13 | C11 | N1 | 135.9° | 180.0° |
| N15 | C13 | C11 | C12 | 111.5° | 60.0° |
| N15 | C13 | C11 | H17 | 13.1° | 60.0° |
| C13 | N15 | C16 | H22 | 0.5° | 35.0° |
| C20 | C21 | C24 | C25 | 0.4° | 0.2° |
| C20 | C21 | C24 | O22 | 179.1° | 179.9° |
| C20 | C21 | O22 | C23 | 131.7° | 180.0° |
| C20 | C21 | C24 | H13 | 179.6° | 180.0° |
| C21 | C20 | C19 | H27 | 179.3° | 179.9° |
| O14 | C13 | C11 | N1 | 41.9° | 0.0° |
| O14 | C13 | C11 | C12 | 70.6° | 120.0° |
| O14 | C13 | C11 | H17 | 164.7° | 120.0° |
| O14 | C13 | N15 | H21 | 176.4° | 180.0° |
| C13 | C11 | N1 | C2 | 96.8° | 155.0° |
| C13 | C11 | N1 | C12 | 116.4° | 120.0° |
| C13 | C11 | N1 | H17 | 122.2° | 120.0° |
| C13 | C11 | C12 | H17 | 124.8° | 120.0° |
| C13 | C11 | N1 | H1 | 83.2° | 25.0° |
| C13 | C11 | C12 | H18 | 180.0° | 60.0° |
| C13 | C11 | C12 | H19 | 60.0° | 180.0° |
| C13 | C11 | C12 | H20 | 60.0° | 60.1° |
| C11 | C13 | N15 | H21 | 1.3° | 0.0° |
| C25 | C24 | C21 | H13 | 180.0° | 179.8° |
| C25 | C24 | C21 | O22 | 179.5° | 179.7° |
| O3 | C2 | C4 | N5 | 2.4° | 0.3° |
| O3 | C2 | C4 | N1 | 179.7° | 179.7° |
| O3 | C2 | N1 | C11 | 0.1° | 0.3° |
| O3 | C2 | N1 | H1 | 179.9° | 179.7° |
| O3 | C2 | C4 | H2 | 122.3° | 119.7° |
| O3 | C2 | C4 | H3 | 117.6° | 120.3° |
| C10 | C9 | O8 | H14 | 119.5° | 119.9° |
| C10 | C9 | O8 | H15 | 119.5° | 120.0° |
| C9 | C10 | N5 | H8 | 120.1° | 119.9° |
| C9 | C10 | N5 | H9 | 120.1° | 120.0° |
| C9 | C10 | N5 | C6 | 48.3° | 58.6° |
| C9 | C10 | N5 | C4 | 168.9° | 177.6° |
| C10 | C9 | O8 | C7 | 69.2° | 58.6° |
| C9 | C10 | H8 | H9 | 119.7° | 120.1° |
| C10 | C9 | H14 | H15 | 121.5° | 120.1° |
| O8 | C9 | C10 | N5 | 55.0° | 56.8° |
| C9 | O8 | C7 | C6 | 69.3° | 58.7° |
| C9 | O8 | C7 | H6 | 50.2° | 178.6° |
| C9 | O8 | C7 | H7 | 171.3° | 61.3° |
| O8 | C9 | C10 | H8 | 175.1° | 63.1° |
| O8 | C9 | C10 | H9 | 65.1° | 176.8° |
| O8 | C9 | H14 | H15 | 121.4° | 120.1° |
| C10 | N5 | C6 | C4 | 118.3° | 123.8° |
| C10 | N5 | C6 | C7 | 48.6° | 58.6° |
| C10 | N5 | C4 | C2 | 170.9° | 170.0° |
| C10 | N5 | C4 | H2 | 50.9° | 70.1° |
| C10 | N5 | C4 | H3 | 69.2° | 49.9° |
| C10 | N5 | C6 | H4 | 168.6° | 178.5° |
| C10 | N5 | C6 | H5 | 71.6° | 61.4° |
| N5 | C10 | H8 | H9 | 119.6° | 120.1° |
| N5 | C10 | C9 | H14 | 174.5° | 63.1° |
| N5 | C10 | C9 | H15 | 64.5° | 176.7° |
| N5 | C6 | C7 | H4 | 120.1° | 119.9° |
| N5 | C6 | C7 | H5 | 120.1° | 120.0° |
| N5 | C6 | C7 | O8 | 55.0° | 56.8° |
| C6 | N5 | C4 | C2 | 64.7° | 66.4° |
| C6 | N5 | C4 | H2 | 175.3° | 53.6° |
| C6 | N5 | C4 | H3 | 55.2° | 173.6° |
| N5 | C6 | H4 | H5 | 119.7° | 120.1° |
| N5 | C6 | C7 | H6 | 64.4° | 176.8° |
| N5 | C6 | C7 | H7 | 174.5° | 63.1° |
| C6 | N5 | C10 | H8 | 168.5° | 61.3° |
| C6 | N5 | C10 | H9 | 71.8° | 178.6° |
| C4 | N5 | C6 | C7 | 166.9° | 177.6° |
| N5 | C4 | C2 | H2 | 120.0° | 119.9° |
| N5 | C4 | C2 | H3 | 119.9° | 120.1° |
| N5 | C4 | C2 | N1 | 177.3° | 179.9° |
| N5 | C4 | H2 | H3 | 120.1° | 120.0° |
| C4 | N5 | C6 | H4 | 73.0° | 57.7° |
| C4 | N5 | C6 | H5 | 46.8° | 62.4° |
| C4 | N5 | C10 | H8 | 71.0° | 62.5° |
| C4 | N5 | C10 | H9 | 48.8° | 57.6° |
| C6 | C7 | O8 | H6 | 119.5° | 120.0° |
| C6 | C7 | O8 | H7 | 119.4° | 119.9° |
| C7 | C6 | H4 | H5 | 119.7° | 120.1° |
| C6 | C7 | H6 | H7 | 121.6° | 120.1° |
| O8 | C7 | C6 | H4 | 175.1° | 176.8° |
| O8 | C7 | C6 | H5 | 65.1° | 63.1° |
| O8 | C7 | H6 | H7 | 121.6° | 120.1° |
| C7 | O8 | C9 | H14 | 171.3° | 61.3° |
| C7 | O8 | C9 | H15 | 50.3° | 178.6° |
| C4 | C2 | N1 | C11 | 179.6° | 180.0° |
| C4 | C2 | N1 | H1 | 0.4° | 0.1° |
| C2 | C4 | H2 | H3 | 120.2° | 120.0° |
| C2 | N1 | C11 | H1 | 180.0° | 180.0° |
| C2 | N1 | C11 | C12 | 146.8° | 85.0° |
| N1 | C2 | C4 | H2 | 57.4° | 60.0° |
| N1 | C2 | C4 | H3 | 62.8° | 60.0° |
| C2 | N1 | C11 | H17 | 25.4° | 35.0° |
| C24 | C21 | O22 | C23 | 49.2° | 0.0° |
| C24 | C21 | C20 | H12 | 179.6° | 180.0° |
| C21 | C24 | C25 | H23 | 179.4° | 179.8° |
| O22 | C21 | C20 | H12 | 0.5° | 0.1° |
| O22 | C21 | C24 | H13 | 0.5° | 0.1° |
| C21 | O22 | C23 | H24 | 180.0° | 180.0° |
| C21 | O22 | C23 | H25 | 60.0° | 60.0° |
| C21 | O22 | C23 | H26 | 60.0° | 60.0° |
| N1 | C11 | C12 | H17 | 122.3° | 120.0° |
| N1 | C11 | C12 | H18 | 67.1° | 60.0° |
| N1 | C11 | C12 | H19 | 172.9° | 60.0° |
| N1 | C11 | C12 | H20 | 52.9° | 179.9° |
| C12 | C11 | N1 | H1 | 33.2° | 95.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C11 | C12 | H18 | H20 | 120.0° | 120.1° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| O22 | C23 | H24 | H25 | 120.0° | 120.0° |
| O22 | C23 | H24 | H26 | 120.0° | 120.0° |
| O22 | C23 | H25 | H26 | 120.0° | 119.9° |
| H1 | N1 | C11 | H17 | 154.6° | 144.9° |
| H4 | C6 | C7 | H6 | 55.6° | 63.3° |
| H4 | C6 | C7 | H7 | 65.5° | 56.8° |
| H5 | C6 | C7 | H6 | 175.5° | 56.8° |
| H5 | C6 | C7 | H7 | 54.4° | 176.9° |
| H8 | C10 | C9 | H14 | 65.5° | 177.0° |
| H8 | C10 | C9 | H15 | 55.6° | 56.8° |
| H9 | C10 | C9 | H14 | 54.3° | 56.9° |
| H9 | C10 | C9 | H15 | 175.4° | 63.2° |
| H10 | C17 | C16 | H22 | 172.1° | 175.0° |
| H11 | C17 | C16 | H22 | 68.2° | 65.0° |
| H12 | C20 | C19 | H27 | 0.7° | 0.1° |
| H13 | C24 | C25 | H23 | 0.6° | 0.0° |
| H17 | C11 | C12 | H18 | 55.2° | 180.0° |
| H17 | C11 | C12 | H19 | 64.9° | 60.0° |
| H17 | C11 | C12 | H20 | 175.1° | 59.9° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | N15 | C16 | H22 | 179.5° | 145.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H28 | N28 | C29 | H29 | 176.4° | 144.9° |
| H29 | C29 | C30 | H30 | 160.9° | 175.0° |
| H29 | C29 | C30 | H31 | 81.7° | 65.0° |
| H32 | C46 | C45 | H33 | 0.3° | 0.1° |
| H33 | C45 | C44 | H34 | 0.3° | 0.1° |
| H34 | C44 | C43 | H35 | 0.1° | 0.0° |
| H35 | C43 | C42 | H36 | 0.1° | 0.0° |
| H39 | C37 | C38 | H40 | 59.0° | 180.0° |
| H39 | C37 | C38 | H41 | 179.0° | 59.9° |
| H39 | C37 | C38 | H42 | 61.0° | 60.0° |
| H39 | C37 | C39 | H43 | 158.3° | 65.0° |
| H39 | C37 | C39 | H44 | 38.4° | 175.0° |
| H40 | C38 | H41 | H42 | 120.0° | 120.0° |
| H43 | C39 | O40 | H45 | 99.5° | 60.0° |
| H44 | C39 | O40 | H45 | 140.6° | 60.0° |
