UWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C26 | sing | 1.38Å | 1.33Å | |
| N8 | C23 | sing | 1.35Å | 1.33Å | Aromatic |
| N8 | C22 | doub | 1.30Å | 1.35Å | Aromatic |
| C26 | C23 | doub | 1.41Å | 1.39Å | Aromatic |
| C26 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| N10 | C25 | doub | 1.32Å | 1.31Å | Aromatic |
| C20 | O6 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C20 | C19 | sing | 1.55Å | 1.56Å | |
| C24 | N7 | sing | 1.37Å | 1.31Å | Aromatic |
| C24 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C19 | sing | 1.47Å | 1.44Å | |
| C25 | N9 | sing | 1.32Å | 1.32Å | Aromatic |
| O7 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C18 | sing | 1.54Å | 1.54Å | |
| C19 | O5 | sing | 1.44Å | 1.52Å | |
| O5 | C18 | sing | 1.44Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | N6 | sing | 1.47Å | 1.50Å | |
| N3 | C3 | sing | 1.38Å | 1.36Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C3 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| N6 | C12 | sing | 1.47Å | 1.49Å | |
| N6 | C14 | sing | 1.47Å | 1.51Å | |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | C4 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | C16 | sing | 1.43Å | 1.41Å | |
| C4 | N5 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | trip | 1.17Å | 1.21Å | |
| O3 | C9 | sing | 1.44Å | 1.47Å | |
| O3 | C5 | sing | 1.44Å | 1.42Å | |
| C15 | C14 | sing | 1.47Å | 1.46Å | |
| C1 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C1 | N5 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | O4 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| N5 | C5 | sing | 1.46Å | 1.47Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C5 | C7 | sing | 1.55Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | O1 | sing | 1.43Å | 1.41Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| N11 | H28 | sing | 0.97Å | 1.00Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| O7 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C26 | C23 | 122.0° | 120.8° |
| N11 | C26 | N10 | 119.4° | 120.8° |
| C26 | N11 | H28 | 109.5° | 119.9° |
| C26 | N11 | H29 | 109.5° | 120.0° |
| C23 | N8 | C22 | 107.8° | 109.4° |
| N8 | C23 | C26 | 135.6° | 134.7° |
| N8 | C23 | C24 | 107.0° | 107.2° |
| N8 | C22 | N7 | 108.5° | 110.0° |
| N8 | C22 | H23 | 125.7° | 125.0° |
| C23 | C26 | N10 | 118.6° | 118.4° |
| C26 | C23 | C24 | 117.3° | 118.1° |
| C26 | N10 | C25 | 122.0° | 121.3° |
| C23 | C24 | N7 | 108.0° | 105.9° |
| C23 | C24 | N9 | 121.2° | 119.1° |
| C22 | N7 | C24 | 108.5° | 107.5° |
| C22 | N7 | C19 | 134.2° | 126.3° |
| N7 | C22 | H23 | 125.7° | 125.0° |
| N10 | C25 | N9 | 121.5° | 122.4° |
| N10 | C25 | H24 | 119.2° | 118.8° |
| O6 | C20 | C21 | 119.1° | 110.6° |
| O6 | C20 | C19 | 117.4° | 110.5° |
| O6 | C20 | H21 | 105.5° | 110.5° |
| C20 | O6 | H33 | 109.5° | 114.0° |
| C21 | C20 | C19 | 104.7° | 104.0° |
| C20 | C21 | O7 | 103.5° | 110.5° |
| C20 | C21 | C18 | 94.6° | 104.1° |
| C21 | C20 | H21 | 104.4° | 110.5° |
| C20 | C21 | H22 | 116.7° | 110.5° |
| C20 | C19 | N7 | 124.1° | 110.6° |
| C20 | C19 | O5 | 99.7° | 104.8° |
| C20 | C19 | H20 | 111.4° | 110.3° |
| C19 | C20 | H21 | 104.0° | 110.6° |
| N7 | C24 | N9 | 130.8° | 135.0° |
| C24 | N7 | C19 | 116.8° | 126.3° |
| C24 | N9 | C25 | 119.3° | 120.7° |
| N7 | C19 | O5 | 93.3° | 110.3° |
| N7 | C19 | H20 | 113.3° | 110.3° |
| N9 | C25 | H24 | 119.2° | 118.8° |
| O7 | C21 | C18 | 104.2° | 110.5° |
| O7 | C21 | H22 | 118.2° | 110.5° |
| C21 | O7 | H34 | 109.5° | 114.0° |
| C21 | C18 | O5 | 97.5° | 104.9° |
| C21 | C18 | C17 | 112.9° | 110.4° |
| C21 | C18 | H19 | 111.9° | 110.4° |
| C18 | C21 | H22 | 116.3° | 110.5° |
| C19 | O5 | C18 | 105.6° | 105.3° |
| O5 | C19 | H20 | 112.0° | 110.3° |
| O5 | C18 | C17 | 108.6° | 110.4° |
| O5 | C18 | H19 | 113.6° | 110.4° |
| C18 | C17 | N6 | 117.1° | 109.5° |
| C18 | C17 | H17 | 107.5° | 109.5° |
| C18 | C17 | H18 | 107.6° | 109.5° |
| C17 | C18 | H19 | 111.5° | 110.3° |
| C17 | N6 | C12 | 108.1° | 111.0° |
| C17 | N6 | C14 | 119.5° | 111.0° |
| N6 | C17 | H17 | 107.5° | 109.5° |
| N6 | C17 | H18 | 107.5° | 109.5° |
| N3 | C3 | N1 | 121.1° | 120.8° |
| N3 | C3 | C2 | 120.8° | 120.7° |
| C3 | N3 | H25 | 109.5° | 120.0° |
| C3 | N3 | H26 | 109.5° | 119.9° |
| C13 | C12 | N6 | 108.8° | 109.5° |
| C13 | C12 | C11 | 112.9° | 109.5° |
| C13 | C12 | H11 | 107.4° | 109.4° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.4° |
| C12 | C13 | H14 | 109.4° | 109.4° |
| N1 | C3 | C2 | 118.1° | 118.5° |
| C3 | N1 | C6 | 121.3° | 121.2° |
| C3 | C2 | N4 | 133.7° | 134.5° |
| C3 | C2 | C1 | 118.9° | 118.1° |
| C12 | N6 | C14 | 115.6° | 111.0° |
| N6 | C12 | C11 | 111.8° | 109.5° |
| N6 | C12 | H11 | 108.1° | 109.5° |
| N6 | C14 | C15 | 109.2° | 109.5° |
| N6 | C14 | H15 | 109.6° | 109.4° |
| N6 | C14 | H16 | 109.5° | 109.5° |
| N1 | C6 | N2 | 121.7° | 122.5° |
| N1 | C6 | H2 | 119.1° | 118.7° |
| C2 | N4 | C4 | 107.8° | 109.4° |
| N4 | C2 | C1 | 107.4° | 107.4° |
| N4 | C4 | C16 | 123.2° | 125.2° |
| N4 | C4 | N5 | 109.3° | 109.6° |
| C12 | C11 | H8 | 109.5° | 109.5° |
| C12 | C11 | H9 | 109.5° | 109.5° |
| C12 | C11 | H10 | 109.4° | 109.4° |
| C11 | C12 | H11 | 107.6° | 109.4° |
| C2 | C1 | N2 | 120.3° | 119.1° |
| C2 | C1 | N5 | 107.6° | 106.2° |
| C16 | C4 | N5 | 127.4° | 125.2° |
| C4 | C16 | C15 | 176.8° | 180.0° |
| C4 | N5 | C1 | 107.8° | 107.3° |
| C4 | N5 | C5 | 129.6° | 126.4° |
| C6 | N2 | C1 | 119.7° | 120.6° |
| N2 | C6 | H2 | 119.2° | 118.8° |
| C16 | C15 | C14 | 174.3° | 180.0° |
| C9 | O3 | C5 | 107.8° | 107.0° |
| O3 | C9 | C10 | 110.3° | 110.0° |
| O3 | C9 | C8 | 105.3° | 107.3° |
| O3 | C9 | H5 | 108.6° | 109.9° |
| O3 | C5 | N5 | 110.7° | 110.8° |
| O3 | C5 | C7 | 103.6° | 103.5° |
| O3 | C5 | H1 | 108.6° | 110.6° |
| C15 | C14 | H15 | 109.5° | 109.5° |
| C15 | C14 | H16 | 109.5° | 109.5° |
| N2 | C1 | N5 | 132.1° | 134.7° |
| C1 | N5 | C5 | 122.3° | 126.4° |
| O4 | C10 | C9 | 112.6° | 109.4° |
| O4 | C10 | H6 | 108.7° | 109.5° |
| O4 | C10 | H7 | 108.7° | 109.4° |
| C10 | O4 | H32 | 109.5° | 114.0° |
| C10 | C9 | C8 | 116.6° | 109.9° |
| C10 | C9 | H5 | 108.0° | 109.9° |
| C9 | C10 | H6 | 108.7° | 109.5° |
| C9 | C10 | H7 | 108.7° | 109.5° |
| N5 | C5 | C7 | 118.1° | 110.6° |
| N5 | C5 | H1 | 108.0° | 110.6° |
| C9 | C8 | C7 | 101.5° | 104.2° |
| C9 | C8 | O2 | 109.7° | 110.5° |
| C9 | C8 | H4 | 111.2° | 110.6° |
| C8 | C9 | H5 | 107.6° | 109.9° |
| C5 | C7 | C8 | 99.9° | 102.0° |
| C5 | C7 | O1 | 116.1° | 110.9° |
| C7 | C5 | H1 | 107.5° | 110.6° |
| C5 | C7 | H3 | 107.1° | 110.9° |
| C8 | C7 | O1 | 117.7° | 110.9° |
| C7 | C8 | O2 | 109.0° | 110.5° |
| C8 | C7 | H3 | 106.9° | 110.9° |
| C7 | C8 | H4 | 111.5° | 110.5° |
| O1 | C7 | H3 | 108.3° | 110.9° |
| C7 | O1 | H30 | 109.5° | 114.0° |
| O2 | C8 | H4 | 113.3° | 110.4° |
| C8 | O2 | H31 | 109.5° | 114.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.4° |
| H25 | N3 | H26 | 109.5° | 120.0° |
| H28 | N11 | H29 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C26 | C23 | N8 | 0.4° | 0.5° |
| N11 | C26 | C23 | N10 | 179.9° | 179.9° |
| N11 | C26 | C23 | C24 | 180.0° | 180.0° |
| N11 | C26 | N10 | C25 | 179.4° | 180.0° |
| C26 | N11 | H28 | H29 | 120.0° | 179.9° |
| N8 | C23 | C26 | C24 | 179.7° | 179.5° |
| N8 | C23 | C26 | N10 | 179.6° | 179.5° |
| C23 | N8 | C22 | N7 | 2.0° | 0.0° |
| N8 | C23 | C24 | N7 | 1.6° | 0.4° |
| N8 | C23 | C24 | N9 | 179.9° | 179.7° |
| C23 | N8 | C22 | H23 | 178.0° | 179.8° |
| C22 | N8 | C23 | C26 | 179.5° | 179.8° |
| C22 | N8 | C23 | C24 | 0.2° | 0.3° |
| N8 | C22 | N7 | H23 | 180.0° | 179.8° |
| N8 | C22 | N7 | C24 | 3.0° | 0.3° |
| N8 | C22 | N7 | C19 | 174.2° | 179.8° |
| C23 | C26 | N10 | C25 | 0.5° | 0.0° |
| C26 | C23 | C24 | N7 | 178.6° | 180.0° |
| C26 | C23 | C24 | N9 | 0.3° | 0.1° |
| C23 | C26 | N11 | H28 | 179.9° | 0.1° |
| C23 | C26 | N11 | H29 | 60.1° | 180.0° |
| N10 | C26 | C23 | C24 | 0.1° | 0.0° |
| C26 | N10 | C25 | N9 | 1.6° | 0.0° |
| C26 | N10 | C25 | H24 | 178.4° | 180.0° |
| N10 | C26 | N11 | H28 | 0.0° | 180.0° |
| N10 | C26 | N11 | H29 | 120.0° | 0.1° |
| C23 | C24 | N7 | C22 | 2.8° | 0.4° |
| C23 | C24 | N7 | N9 | 178.1° | 179.9° |
| C23 | C24 | N7 | C19 | 175.7° | 179.7° |
| C23 | C24 | N9 | C25 | 1.3° | 0.0° |
| C22 | N7 | C19 | C20 | 49.2° | 91.9° |
| C22 | N7 | C24 | C19 | 172.9° | 179.9° |
| C22 | N7 | C24 | N9 | 179.0° | 179.7° |
| C22 | N7 | C19 | O5 | 54.8° | 23.6° |
| C22 | N7 | C19 | H20 | 170.5° | 145.8° |
| N10 | C25 | N9 | C24 | 2.0° | 0.0° |
| N10 | C25 | N9 | H24 | 180.0° | 180.0° |
| O6 | C20 | C21 | C19 | 133.7° | 118.6° |
| O6 | C20 | C21 | H21 | 117.3° | 122.6° |
| O6 | C20 | C19 | H21 | 116.1° | 122.7° |
| O6 | C20 | C19 | N7 | 141.0° | 98.5° |
| O6 | C20 | C21 | O7 | 17.8° | 0.0° |
| O6 | C20 | C21 | C18 | 88.0° | 118.6° |
| O6 | C20 | C19 | O5 | 118.3° | 142.6° |
| O6 | C20 | C19 | H20 | 0.0° | 23.8° |
| O6 | C20 | C21 | H22 | 149.4° | 122.7° |
| C21 | C20 | C19 | H21 | 109.3° | 118.6° |
| C21 | C20 | C19 | N7 | 84.4° | 142.8° |
| C20 | C21 | O7 | C18 | 98.4° | 114.6° |
| C20 | C21 | O7 | H22 | 130.8° | 122.7° |
| C20 | C21 | C18 | H22 | 122.9° | 118.7° |
| C21 | C20 | C19 | O5 | 16.3° | 24.0° |
| C20 | C21 | C18 | O5 | 59.2° | 23.9° |
| C20 | C21 | C18 | C17 | 173.1° | 142.8° |
| C20 | C21 | C18 | H19 | 60.1° | 95.0° |
| C21 | C20 | C19 | H20 | 134.6° | 94.8° |
| C21 | C20 | O6 | H33 | 180.0° | 61.4° |
| C20 | C21 | O7 | H34 | 180.0° | 61.5° |
| C20 | C19 | N7 | C24 | 121.4° | 88.0° |
| C20 | C19 | N7 | O5 | 104.0° | 115.5° |
| C20 | C19 | N7 | H20 | 140.4° | 122.4° |
| C19 | C20 | C21 | O7 | 151.5° | 118.6° |
| C19 | C20 | C21 | C18 | 45.7° | 0.0° |
| C20 | C19 | O5 | H20 | 117.9° | 118.8° |
| C20 | C19 | O5 | C18 | 22.7° | 40.4° |
| C19 | C20 | C21 | H22 | 76.9° | 118.7° |
| C19 | C20 | O6 | H33 | 52.0° | 176.0° |
| N7 | C24 | N9 | C25 | 179.2° | 179.9° |
| C24 | N7 | C19 | O5 | 134.6° | 156.5° |
| C24 | N7 | C19 | H20 | 18.9° | 34.3° |
| C24 | N7 | C22 | H23 | 177.0° | 179.9° |
| N9 | C24 | N7 | C19 | 6.1° | 0.2° |
| C24 | N9 | C25 | H24 | 178.0° | 180.0° |
| N7 | C19 | O5 | H20 | 116.7° | 122.2° |
| N7 | C19 | O5 | C18 | 148.1° | 159.5° |
| N7 | C19 | C20 | H21 | 24.9° | 24.2° |
| C19 | N7 | C22 | H23 | 5.8° | 0.0° |
| O7 | C21 | C18 | H22 | 131.9° | 122.7° |
| O7 | C21 | C18 | O5 | 164.4° | 142.6° |
| O7 | C21 | C18 | C17 | 81.7° | 98.5° |
| O7 | C21 | C18 | H19 | 45.1° | 23.6° |
| O7 | C21 | C20 | H21 | 99.5° | 122.6° |
| C21 | C18 | O5 | C19 | 52.3° | 40.5° |
| C21 | C18 | O5 | C17 | 117.3° | 118.9° |
| C21 | C18 | O5 | H19 | 118.0° | 118.9° |
| C21 | C18 | C17 | H19 | 127.0° | 122.2° |
| C21 | C18 | C17 | N6 | 179.1° | 176.4° |
| C21 | C18 | C17 | H17 | 59.7° | 56.3° |
| C21 | C18 | C17 | H18 | 58.0° | 63.6° |
| C18 | C21 | C20 | H21 | 154.7° | 118.7° |
| C18 | C21 | O7 | H34 | 81.6° | 176.1° |
| C19 | O5 | C18 | C17 | 169.6° | 159.4° |
| C19 | O5 | C18 | H19 | 65.6° | 78.4° |
| O5 | C19 | C20 | H21 | 125.6° | 94.7° |
| O5 | C18 | C17 | H19 | 126.0° | 122.2° |
| O5 | C18 | C17 | N6 | 72.1° | 68.1° |
| O5 | C18 | C17 | H17 | 166.7° | 171.9° |
| O5 | C18 | C17 | H18 | 49.0° | 52.0° |
| C18 | O5 | C19 | H20 | 95.2° | 78.3° |
| O5 | C18 | C21 | H22 | 63.7° | 94.8° |
| C18 | C17 | N6 | H17 | 121.1° | 120.0° |
| C18 | C17 | N6 | H18 | 121.1° | 120.0° |
| C18 | C17 | N6 | C12 | 140.1° | 77.8° |
| C18 | C17 | N6 | C14 | 84.8° | 158.3° |
| C18 | C17 | H17 | H18 | 116.5° | 120.0° |
| C17 | C18 | C21 | H22 | 50.2° | 24.1° |
| C17 | N6 | C12 | C13 | 53.5° | 65.7° |
| C17 | N6 | C12 | C14 | 137.0° | 124.0° |
| C17 | N6 | C12 | C11 | 72.0° | 174.3° |
| C17 | N6 | C14 | C15 | 66.6° | 159.4° |
| C17 | N6 | C12 | H11 | 169.8° | 54.3° |
| C17 | N6 | C14 | H15 | 53.4° | 80.7° |
| C17 | N6 | C14 | H16 | 173.5° | 39.3° |
| N6 | C17 | H17 | H18 | 116.5° | 120.0° |
| N6 | C17 | C18 | H19 | 53.8° | 54.2° |
| N3 | C3 | N1 | C2 | 178.9° | 180.0° |
| N3 | C3 | N1 | C6 | 179.4° | 179.9° |
| N3 | C3 | C2 | N4 | 0.5° | 0.1° |
| N3 | C3 | C2 | C1 | 179.1° | 180.0° |
| C3 | N3 | H25 | H26 | 120.0° | 180.0° |
| C13 | C12 | N6 | C11 | 125.5° | 120.0° |
| C13 | C12 | N6 | H11 | 116.3° | 120.0° |
| C13 | C12 | N6 | C14 | 169.5° | 58.3° |
| C13 | C12 | C11 | H11 | 118.3° | 119.9° |
| C13 | C12 | C11 | H8 | 180.0° | 68.7° |
| C13 | C12 | C11 | H9 | 60.0° | 171.3° |
| C13 | C12 | C11 | H10 | 60.0° | 51.3° |
| C12 | C13 | H12 | H13 | 120.0° | 119.9° |
| C12 | C13 | H12 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| N1 | C3 | C2 | N4 | 179.4° | 179.9° |
| N1 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | N1 | C6 | N2 | 0.3° | 0.1° |
| C3 | N1 | C6 | H2 | 179.7° | 180.0° |
| N1 | C3 | N3 | H25 | 0.0° | 0.0° |
| N1 | C3 | N3 | H26 | 120.0° | 180.0° |
| C2 | C3 | N1 | C6 | 0.5° | 0.1° |
| C3 | C2 | N4 | C1 | 179.7° | 179.9° |
| C3 | C2 | N4 | C4 | 178.0° | 180.0° |
| C3 | C2 | C1 | N2 | 0.2° | 0.1° |
| C3 | C2 | C1 | N5 | 179.9° | 179.8° |
| C2 | C3 | N3 | H25 | 178.9° | 180.0° |
| C2 | C3 | N3 | H26 | 58.8° | 0.0° |
| N6 | C12 | C11 | H11 | 118.6° | 120.0° |
| C12 | N6 | C14 | C15 | 161.6° | 76.7° |
| N6 | C12 | C11 | H8 | 56.9° | 171.3° |
| N6 | C12 | C11 | H9 | 63.1° | 51.2° |
| N6 | C12 | C11 | H10 | 176.9° | 68.8° |
| N6 | C12 | C13 | H12 | 180.0° | 60.0° |
| N6 | C12 | C13 | H13 | 60.0° | 59.9° |
| N6 | C12 | C13 | H14 | 60.0° | 180.0° |
| C12 | N6 | C14 | H15 | 78.5° | 43.3° |
| C12 | N6 | C14 | H16 | 41.6° | 163.3° |
| C12 | N6 | C17 | H17 | 98.7° | 162.2° |
| C12 | N6 | C17 | H18 | 19.0° | 42.2° |
| C14 | N6 | C12 | C11 | 65.0° | 61.8° |
| N6 | C14 | C15 | C16 | 61.3° | 155.0° |
| N6 | C14 | C15 | H15 | 120.0° | 120.0° |
| N6 | C14 | C15 | H16 | 119.9° | 120.0° |
| C14 | N6 | C12 | H11 | 53.2° | 178.2° |
| N6 | C14 | H15 | H16 | 120.1° | 120.0° |
| C14 | N6 | C17 | H17 | 36.3° | 38.2° |
| C14 | N6 | C17 | H18 | 154.0° | 81.7° |
| N1 | C6 | N2 | H2 | 180.0° | 179.9° |
| N1 | C6 | N2 | C1 | 0.2° | 0.0° |
| C2 | N4 | C4 | C16 | 179.7° | 179.9° |
| C2 | N4 | C4 | N5 | 3.0° | 0.3° |
| N4 | C2 | C1 | N2 | 179.9° | 180.0° |
| N4 | C2 | C1 | N5 | 0.3° | 0.2° |
| C4 | N4 | C2 | C1 | 1.6° | 0.1° |
| N4 | C4 | C16 | N5 | 176.7° | 179.5° |
| N4 | C4 | C16 | C15 | 171.7° | 129.9° |
| N4 | C4 | N5 | C1 | 3.2° | 0.4° |
| N4 | C4 | N5 | C5 | 177.8° | 179.7° |
| C12 | C11 | H8 | H9 | 120.0° | 120.0° |
| C12 | C11 | H8 | H10 | 120.0° | 120.0° |
| C12 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12 | 55.2° | 60.0° |
| C11 | C12 | C13 | H13 | 64.8° | 180.0° |
| C11 | C12 | C13 | H14 | 175.2° | 60.0° |
| C2 | C1 | N5 | C4 | 2.2° | 0.3° |
| C2 | C1 | N2 | C6 | 0.4° | 0.1° |
| C2 | C1 | N2 | N5 | 179.7° | 179.8° |
| C2 | C1 | N5 | C5 | 177.2° | 179.8° |
| C4 | C16 | C15 | C14 | 19.8° | 165.4° |
| C16 | C4 | N5 | C1 | 179.6° | 180.0° |
| C16 | C4 | N5 | C5 | 5.1° | 0.1° |
| N5 | C4 | C16 | C15 | 5.1° | 49.6° |
| C4 | N5 | C5 | O3 | 66.2° | 39.0° |
| C4 | N5 | C1 | N2 | 178.1° | 179.9° |
| C4 | N5 | C1 | C5 | 175.0° | 179.9° |
| C4 | N5 | C5 | C7 | 52.9° | 75.1° |
| C4 | N5 | C5 | H1 | 175.0° | 162.0° |
| C6 | N2 | C1 | N5 | 179.9° | 179.7° |
| C16 | C15 | C14 | H15 | 178.7° | 35.0° |
| C16 | C15 | C14 | H16 | 58.7° | 85.0° |
| O3 | C9 | C10 | O4 | 59.7° | 67.1° |
| O3 | C9 | C10 | C8 | 120.1° | 117.9° |
| O3 | C9 | C10 | H5 | 118.6° | 121.1° |
| C9 | O3 | C5 | N5 | 161.8° | 158.6° |
| O3 | C9 | C8 | H5 | 115.7° | 119.4° |
| C9 | O3 | C5 | C7 | 34.2° | 40.1° |
| O3 | C9 | C8 | C7 | 21.1° | 2.0° |
| O3 | C9 | C8 | O2 | 94.1° | 120.7° |
| C9 | O3 | C5 | H1 | 79.8° | 78.4° |
| O3 | C9 | C8 | H4 | 139.8° | 116.7° |
| O3 | C9 | C10 | H6 | 179.8° | 172.9° |
| O3 | C9 | C10 | H7 | 60.8° | 52.8° |
| O3 | C5 | N5 | C1 | 107.7° | 140.9° |
| C5 | O3 | C9 | C10 | 134.4° | 146.0° |
| O3 | C5 | N5 | C7 | 119.1° | 114.1° |
| O3 | C5 | N5 | H1 | 118.8° | 123.0° |
| C5 | O3 | C9 | C8 | 7.7° | 26.5° |
| O3 | C5 | C7 | H1 | 114.8° | 118.5° |
| O3 | C5 | C7 | C8 | 46.6° | 37.1° |
| O3 | C5 | C7 | O1 | 174.3° | 155.2° |
| O3 | C5 | C7 | H3 | 64.6° | 81.1° |
| C5 | O3 | C9 | H5 | 107.3° | 92.9° |
| C15 | C14 | H15 | H16 | 120.1° | 120.0° |
| N2 | C1 | N5 | C5 | 3.1° | 0.0° |
| C1 | N2 | C6 | H2 | 179.8° | 179.9° |
| C1 | N5 | C5 | C7 | 133.2° | 105.0° |
| C1 | N5 | C5 | H1 | 11.2° | 17.9° |
| O4 | C10 | C9 | H6 | 120.5° | 120.0° |
| O4 | C10 | C9 | H7 | 120.5° | 119.9° |
| O4 | C10 | C9 | C8 | 60.4° | 175.0° |
| O4 | C10 | C9 | H5 | 178.3° | 54.0° |
| O4 | C10 | H6 | H7 | 118.6° | 120.0° |
| C10 | C9 | C8 | H5 | 121.5° | 121.0° |
| C10 | C9 | C8 | C7 | 101.6° | 121.6° |
| C10 | C9 | C8 | O2 | 143.2° | 119.6° |
| C10 | C9 | C8 | H4 | 17.1° | 2.9° |
| C9 | C10 | H6 | H7 | 118.6° | 120.0° |
| C9 | C10 | O4 | H32 | 180.0° | 180.0° |
| N5 | C5 | C7 | H1 | 122.3° | 122.8° |
| N5 | C5 | C7 | C8 | 169.4° | 155.7° |
| N5 | C5 | C7 | O1 | 62.9° | 86.1° |
| N5 | C5 | C7 | H3 | 58.2° | 37.5° |
| C9 | C8 | C7 | C5 | 40.2° | 20.9° |
| C9 | C8 | C7 | O2 | 115.7° | 118.7° |
| C9 | C8 | C7 | H4 | 118.5° | 118.8° |
| C9 | C8 | C7 | O1 | 166.8° | 139.1° |
| C9 | C8 | O2 | H4 | 124.9° | 122.6° |
| C9 | C8 | C7 | H3 | 71.2° | 97.2° |
| C8 | C9 | C10 | H6 | 60.1° | 55.0° |
| C8 | C9 | C10 | H7 | 179.1° | 65.1° |
| C9 | C8 | O2 | H31 | 180.0° | 65.2° |
| C5 | C7 | C8 | O1 | 126.6° | 118.2° |
| C5 | C7 | C8 | H3 | 111.4° | 118.1° |
| C5 | C7 | O1 | H3 | 120.4° | 123.6° |
| C5 | C7 | C8 | O2 | 75.5° | 97.8° |
| C5 | C7 | C8 | H4 | 158.7° | 139.7° |
| C5 | C7 | O1 | H30 | 180.0° | 179.9° |
| C8 | C7 | O1 | H3 | 121.3° | 123.7° |
| C7 | C8 | O2 | H4 | 124.8° | 122.5° |
| C8 | C7 | C5 | H1 | 68.2° | 81.5° |
| C7 | C8 | C9 | H5 | 136.9° | 117.4° |
| C8 | C7 | O1 | H30 | 61.8° | 67.3° |
| C7 | C8 | O2 | H31 | 69.7° | 180.0° |
| O1 | C7 | C8 | O2 | 51.1° | 20.3° |
| O1 | C7 | C5 | H1 | 59.5° | 36.7° |
| O1 | C7 | C8 | H4 | 74.7° | 102.1° |
| O2 | C8 | C7 | H3 | 173.1° | 144.0° |
| O2 | C8 | C9 | H5 | 21.7° | 1.3° |
| H1 | C5 | C7 | H3 | 179.5° | 160.3° |
| H3 | C7 | C8 | H4 | 47.3° | 21.6° |
| H3 | C7 | O1 | H30 | 59.5° | 56.5° |
| H4 | C8 | C9 | H5 | 104.4° | 123.9° |
| H4 | C8 | O2 | H31 | 55.1° | 57.4° |
| H5 | C9 | C10 | H6 | 61.2° | 66.0° |
| H5 | C9 | C10 | H7 | 57.8° | 174.0° |
| H6 | C10 | O4 | H32 | 59.5° | 60.0° |
| H7 | C10 | O4 | H32 | 59.5° | 60.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H8 | C11 | C12 | H11 | 61.7° | 51.2° |
| H9 | C11 | C12 | H11 | 178.3° | 68.8° |
| H10 | C11 | C12 | H11 | 58.3° | 171.2° |
| H11 | C12 | C13 | H12 | 63.2° | 180.0° |
| H11 | C12 | C13 | H13 | 176.8° | 60.1° |
| H11 | C12 | C13 | H14 | 56.8° | 59.9° |
| H12 | C13 | H13 | H14 | 120.0° | 120.1° |
| H17 | C17 | C18 | H19 | 67.3° | 65.9° |
| H18 | C17 | C18 | H19 | 174.9° | 174.2° |
| H19 | C18 | C21 | H22 | 177.0° | 146.3° |
| H20 | C19 | C20 | H21 | 116.1° | 146.5° |
| H21 | C20 | C21 | H22 | 32.1° | 0.0° |
| H21 | C20 | O6 | H33 | 63.3° | 61.2° |
| H22 | C21 | O7 | H34 | 49.2° | 61.2° |
