A1BLF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C16 | doub | 1.22Å | 1.22Å | |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C10 | N4 | sing | 1.48Å | 1.48Å | |
| O1 | C12 | doub | 1.21Å | 1.21Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.38Å | 1.38Å | |
| C14 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.54Å | 1.54Å | |
| C16 | C15 | sing | 1.48Å | 1.48Å | |
| C16 | N6 | sing | 1.35Å | 1.35Å | |
| O3 | C18 | sing | 1.43Å | 1.43Å | |
| N4 | C12 | sing | 1.35Å | 1.35Å | |
| N4 | C11 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| N8 | C32 | sing | 1.47Å | 1.47Å | |
| N8 | C19 | sing | 1.47Å | 1.48Å | |
| C15 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C17 | N6 | sing | 1.47Å | 1.46Å | |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| N2 | C7 | doub | 1.33Å | 1.33Å | Aromatic |
| N5 | C7 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.40Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C30 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C24 | O4 | sing | 1.36Å | 1.37Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | O4 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C6 | C2 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | doub | 1.34Å | 1.36Å | Aromatic |
| C26 | O5 | sing | 1.35Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| O5 | C27 | sing | 1.34Å | 1.34Å | Aromatic |
| N7 | C27 | doub | 1.30Å | 1.29Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| N8 | H42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C16 | C15 | 121.2° | 120.0° |
| O2 | C16 | N6 | 122.2° | 120.0° |
| C9 | C10 | N4 | 87.8° | 86.1° |
| C10 | C9 | N3 | 115.1° | 113.7° |
| C10 | C9 | C11 | 88.5° | 86.3° |
| C9 | C10 | H8 | 114.6° | 113.8° |
| C9 | C10 | H9 | 114.6° | 113.8° |
| C10 | C9 | H24 | 112.1° | 113.7° |
| C10 | N4 | C12 | 132.9° | 134.5° |
| C10 | N4 | C11 | 93.0° | 91.0° |
| N4 | C10 | H8 | 114.6° | 113.8° |
| N4 | C10 | H9 | 114.6° | 113.7° |
| O1 | C12 | N4 | 119.5° | 120.0° |
| O1 | C12 | C13 | 119.8° | 120.0° |
| C9 | N3 | C8 | 117.5° | 120.0° |
| N3 | C9 | C11 | 113.7° | 113.7° |
| C9 | N3 | H1 | 107.4° | 120.0° |
| N3 | C9 | H24 | 113.2° | 113.0° |
| N3 | C8 | C14 | 122.6° | 120.5° |
| N3 | C8 | N2 | 118.5° | 120.5° |
| C8 | N3 | H1 | 107.5° | 120.1° |
| C8 | C14 | C15 | 117.5° | 118.3° |
| C14 | C8 | N2 | 118.8° | 119.1° |
| C8 | C14 | H27 | 121.3° | 120.8° |
| C14 | C15 | C16 | 121.1° | 120.4° |
| C14 | C15 | N5 | 119.6° | 119.1° |
| C15 | C14 | H27 | 121.2° | 120.8° |
| C9 | C11 | N4 | 87.8° | 86.1° |
| C11 | C9 | H24 | 112.1° | 113.8° |
| C9 | C11 | H25 | 114.6° | 113.8° |
| C9 | C11 | H26 | 114.6° | 113.8° |
| C15 | C16 | N6 | 116.6° | 120.0° |
| C16 | C15 | N5 | 119.3° | 120.5° |
| C16 | N6 | C17 | 122.6° | 120.0° |
| C16 | N6 | H28 | 118.7° | 120.0° |
| O3 | C18 | C17 | 108.2° | 109.5° |
| O3 | C18 | C19 | 111.8° | 109.5° |
| O3 | C18 | H29 | 109.0° | 109.5° |
| C18 | O3 | H30 | 109.5° | 114.0° |
| C12 | N4 | C11 | 134.0° | 134.5° |
| N4 | C12 | C13 | 120.6° | 120.0° |
| N4 | C11 | H25 | 114.6° | 113.7° |
| N4 | C11 | H26 | 114.6° | 113.8° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.4° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C8 | N2 | C7 | 122.5° | 120.9° |
| C17 | C18 | C19 | 112.5° | 109.5° |
| C18 | C17 | N6 | 109.0° | 109.5° |
| C18 | C17 | H13 | 109.6° | 109.4° |
| C18 | C17 | H14 | 109.6° | 109.5° |
| C17 | C18 | H29 | 107.7° | 109.4° |
| C18 | C19 | N8 | 106.8° | 109.6° |
| C18 | C19 | C20 | 114.3° | 109.6° |
| C19 | C18 | H29 | 107.5° | 109.5° |
| C18 | C19 | H31 | 108.2° | 109.6° |
| C32 | N8 | C19 | 112.8° | 110.2° |
| N8 | C32 | C31 | 111.5° | 110.5° |
| N8 | C32 | H40 | 109.0° | 109.3° |
| N8 | C32 | H41 | 109.0° | 109.1° |
| C32 | N8 | H42 | 108.7° | 111.0° |
| N8 | C19 | C20 | 110.1° | 108.5° |
| N8 | C19 | H31 | 109.1° | 109.8° |
| C19 | N8 | H42 | 108.6° | 111.0° |
| C15 | N5 | C7 | 121.5° | 120.9° |
| N6 | C17 | H13 | 109.6° | 109.5° |
| N6 | C17 | H14 | 109.6° | 109.4° |
| C17 | N6 | H28 | 118.7° | 120.0° |
| C32 | C31 | C30 | 117.5° | 118.3° |
| C32 | C31 | C21 | 121.6° | 121.9° |
| C31 | C32 | H40 | 108.9° | 109.3° |
| C31 | C32 | H41 | 109.0° | 109.3° |
| C19 | C20 | C21 | 112.5° | 110.0° |
| C19 | C20 | H15 | 108.7° | 109.4° |
| C19 | C20 | H16 | 108.7° | 109.4° |
| C20 | C19 | H31 | 108.3° | 109.7° |
| N2 | C7 | N5 | 120.1° | 121.8° |
| N2 | C7 | N1 | 118.9° | 119.1° |
| N5 | C7 | N1 | 121.0° | 119.1° |
| C7 | N1 | C5 | 116.3° | 111.0° |
| C7 | N1 | C4 | 117.4° | 111.0° |
| C30 | C31 | C21 | 120.9° | 119.8° |
| C31 | C30 | C24 | 120.7° | 120.3° |
| C31 | C30 | H39 | 119.6° | 119.9° |
| C31 | C21 | C20 | 121.8° | 121.6° |
| C31 | C21 | C22 | 118.6° | 119.9° |
| C20 | C21 | C22 | 119.6° | 118.5° |
| C21 | C20 | H15 | 108.7° | 109.3° |
| C21 | C20 | H16 | 108.7° | 109.4° |
| C30 | C24 | O4 | 122.4° | 120.1° |
| C30 | C24 | C23 | 118.5° | 119.8° |
| C24 | C30 | H39 | 119.7° | 119.8° |
| C5 | N1 | C4 | 113.1° | 111.2° |
| N1 | C5 | C6 | 110.3° | 109.5° |
| N1 | C5 | H4 | 109.3° | 109.5° |
| N1 | C5 | H5 | 109.2° | 109.5° |
| N1 | C4 | C3 | 110.8° | 109.5° |
| N1 | C4 | H2 | 109.2° | 109.5° |
| N1 | C4 | H3 | 109.1° | 109.4° |
| C21 | C22 | C23 | 120.7° | 120.4° |
| C21 | C22 | H17 | 119.6° | 119.8° |
| C5 | C6 | C2 | 109.2° | 109.2° |
| C6 | C5 | H4 | 109.3° | 109.4° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C4 | C3 | C2 | 109.5° | 109.2° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C3 | C4 | H3 | 109.2° | 109.5° |
| C4 | C3 | H22 | 109.5° | 109.5° |
| C4 | C3 | H23 | 109.5° | 109.5° |
| O4 | C24 | C23 | 119.1° | 120.1° |
| C24 | O4 | C25 | 123.7° | 117.0° |
| C24 | C23 | C22 | 120.6° | 119.8° |
| C24 | C23 | H32 | 119.7° | 120.1° |
| O4 | C25 | C26 | 105.2° | 109.5° |
| O4 | C25 | H33 | 110.5° | 109.5° |
| O4 | C25 | H34 | 110.5° | 109.5° |
| C25 | C26 | C28 | 132.4° | 126.5° |
| C25 | C26 | O5 | 121.2° | 126.4° |
| C26 | C25 | H33 | 110.6° | 109.4° |
| C26 | C25 | H34 | 110.5° | 109.5° |
| C6 | C2 | C3 | 108.8° | 109.2° |
| C6 | C2 | C1 | 110.5° | 109.6° |
| C2 | C6 | H6 | 109.5° | 109.5° |
| C2 | C6 | H7 | 109.5° | 109.5° |
| C6 | C2 | H21 | 109.3° | 109.5° |
| C23 | C22 | H17 | 119.6° | 119.7° |
| C22 | C23 | H32 | 119.7° | 120.1° |
| C3 | C2 | C1 | 109.6° | 109.5° |
| C3 | C2 | H21 | 109.3° | 109.6° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H23 | 109.4° | 109.5° |
| C28 | C26 | O5 | 106.3° | 107.1° |
| C26 | C28 | C29 | 131.7° | 126.2° |
| C26 | C28 | N7 | 107.9° | 107.7° |
| C26 | O5 | C27 | 107.9° | 107.8° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.4° |
| C1 | C2 | H21 | 109.3° | 109.5° |
| C29 | C28 | N7 | 120.4° | 126.2° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.4° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C28 | N7 | C27 | 108.8° | 108.7° |
| O5 | C27 | N7 | 109.1° | 108.8° |
| O5 | C27 | H35 | 125.4° | 125.6° |
| N7 | C27 | H35 | 125.4° | 125.6° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.6° |
| H8 | C10 | H9 | 109.5° | 113.1° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H12 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.4° | 109.5° |
| H18 | C1 | H20 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.6° |
| H25 | C11 | H26 | 109.4° | 113.1° |
| H33 | C25 | H34 | 109.4° | 109.4° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H38 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.4° |
| H40 | C32 | H41 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C16 | C15 | C14 | 46.5° | 0.1° |
| O2 | C16 | C15 | N6 | 179.0° | 179.9° |
| O2 | C16 | C15 | N5 | 135.7° | 180.0° |
| O2 | C16 | N6 | C17 | 0.0° | 0.1° |
| O2 | C16 | N6 | H28 | 180.0° | 180.0° |
| C9 | C10 | N4 | H8 | 116.1° | 114.3° |
| C9 | C10 | N4 | H9 | 116.1° | 114.3° |
| C10 | C9 | N3 | C11 | 100.0° | 96.7° |
| C10 | C9 | N3 | H24 | 130.6° | 131.6° |
| C10 | C9 | N3 | C8 | 171.4° | 155.0° |
| C10 | C9 | C11 | H24 | 113.2° | 114.4° |
| C9 | C10 | N4 | C12 | 167.0° | 155.3° |
| C9 | C10 | N4 | C11 | 13.2° | 24.6° |
| C10 | C9 | N3 | H1 | 67.5° | 25.0° |
| C9 | C10 | H8 | H9 | 130.3° | 131.8° |
| C10 | C9 | C11 | H25 | 128.8° | 90.6° |
| C10 | C9 | C11 | H26 | 103.5° | 137.9° |
| C10 | N4 | C12 | O1 | 0.2° | 0.0° |
| N4 | C10 | C9 | N3 | 102.9° | 137.9° |
| C10 | N4 | C12 | C11 | 179.8° | 179.9° |
| C10 | N4 | C12 | C13 | 179.6° | 180.0° |
| N4 | C10 | H8 | H9 | 130.3° | 131.7° |
| N4 | C10 | C9 | H24 | 125.9° | 90.9° |
| C10 | N4 | C11 | H25 | 129.3° | 89.7° |
| C10 | N4 | C11 | H26 | 103.0° | 138.9° |
| O1 | C12 | N4 | C13 | 179.8° | 180.0° |
| O1 | C12 | N4 | C11 | 179.9° | 180.0° |
| O1 | C12 | C13 | H10 | 0.0° | 120.0° |
| O1 | C12 | C13 | H11 | 120.0° | 0.0° |
| O1 | C12 | C13 | H12 | 120.0° | 120.0° |
| C9 | N3 | C8 | H1 | 121.2° | 180.0° |
| C9 | N3 | C8 | C14 | 168.4° | 0.1° |
| N3 | C9 | C11 | H24 | 129.9° | 131.3° |
| N3 | C9 | C11 | N4 | 104.2° | 137.9° |
| C9 | N3 | C8 | N2 | 11.9° | 180.0° |
| N3 | C9 | C10 | H8 | 140.9° | 107.8° |
| N3 | C9 | C10 | H9 | 13.2° | 23.7° |
| N3 | C9 | C11 | H25 | 11.9° | 23.7° |
| N3 | C9 | C11 | H26 | 139.7° | 107.8° |
| N3 | C8 | C14 | N2 | 179.7° | 179.9° |
| N3 | C8 | C14 | C15 | 179.6° | 179.8° |
| C8 | N3 | C9 | C11 | 88.7° | 108.3° |
| N3 | C8 | N2 | C7 | 179.5° | 180.0° |
| C8 | N3 | C9 | H24 | 40.7° | 23.4° |
| N3 | C8 | C14 | H27 | 0.4° | 0.0° |
| C8 | C14 | C15 | H27 | 180.0° | 179.7° |
| C8 | C14 | C15 | C16 | 178.8° | 179.8° |
| C8 | C14 | C15 | N5 | 0.9° | 0.3° |
| C14 | C8 | N2 | C7 | 0.2° | 0.1° |
| C14 | C8 | N3 | H1 | 70.4° | 180.0° |
| C14 | C15 | C16 | N5 | 177.9° | 179.9° |
| C14 | C15 | C16 | N6 | 132.6° | 180.0° |
| C15 | C14 | C8 | N2 | 0.6° | 0.3° |
| C14 | C15 | N5 | C7 | 0.3° | 0.1° |
| C9 | C11 | N4 | C12 | 167.0° | 155.3° |
| C9 | C11 | N4 | H25 | 116.1° | 114.3° |
| C9 | C11 | N4 | H26 | 116.1° | 114.3° |
| C11 | C9 | N3 | H1 | 32.5° | 71.7° |
| C11 | C9 | C10 | H8 | 103.5° | 137.9° |
| C11 | C9 | C10 | H9 | 128.8° | 90.6° |
| C9 | C11 | H25 | H26 | 130.4° | 131.8° |
| C15 | C16 | N6 | C17 | 179.0° | 180.0° |
| C16 | C15 | N5 | C7 | 178.2° | 180.0° |
| C16 | C15 | C14 | H27 | 1.2° | 0.0° |
| C15 | C16 | N6 | H28 | 1.0° | 0.1° |
| C16 | N6 | C17 | C18 | 82.5° | 180.0° |
| N6 | C16 | C15 | N5 | 45.3° | 0.1° |
| C16 | N6 | C17 | H28 | 180.0° | 180.0° |
| C16 | N6 | C17 | H13 | 157.5° | 60.0° |
| C16 | N6 | C17 | H14 | 37.4° | 60.0° |
| O3 | C18 | C17 | C19 | 124.0° | 120.0° |
| O3 | C18 | C17 | H29 | 117.7° | 120.0° |
| O3 | C18 | C19 | H29 | 119.6° | 120.1° |
| O3 | C18 | C19 | N8 | 62.1° | 179.0° |
| O3 | C18 | C17 | N6 | 174.0° | 65.0° |
| O3 | C18 | C19 | C20 | 60.0° | 60.0° |
| O3 | C18 | C17 | H13 | 54.0° | 55.0° |
| O3 | C18 | C17 | H14 | 66.1° | 175.1° |
| O3 | C18 | C19 | H31 | 179.4° | 60.4° |
| C12 | N4 | C10 | H8 | 76.9° | 41.0° |
| C12 | N4 | C10 | H9 | 50.9° | 90.4° |
| N4 | C12 | C13 | H10 | 179.8° | 60.0° |
| N4 | C12 | C13 | H11 | 60.2° | 180.0° |
| N4 | C12 | C13 | H12 | 59.8° | 60.0° |
| C12 | N4 | C11 | H25 | 50.9° | 90.4° |
| C12 | N4 | C11 | H26 | 76.9° | 41.0° |
| C11 | N4 | C12 | C13 | 0.2° | 0.1° |
| C11 | N4 | C10 | H8 | 102.9° | 138.9° |
| C11 | N4 | C10 | H9 | 129.3° | 89.7° |
| N4 | C11 | C9 | H24 | 125.9° | 90.8° |
| N4 | C11 | H25 | H26 | 130.3° | 131.8° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C8 | N2 | C7 | N5 | 0.8° | 0.2° |
| C8 | N2 | C7 | N1 | 179.0° | 180.0° |
| N2 | C8 | N3 | H1 | 109.3° | 0.1° |
| N2 | C8 | C14 | H27 | 179.4° | 179.9° |
| C17 | C18 | C19 | H29 | 118.4° | 120.0° |
| C17 | C18 | C19 | N8 | 175.9° | 61.0° |
| C18 | C17 | N6 | H13 | 119.9° | 120.0° |
| C18 | C17 | N6 | H14 | 119.9° | 120.0° |
| C17 | C18 | C19 | C20 | 62.0° | 180.0° |
| C18 | C17 | H13 | H14 | 120.2° | 120.0° |
| C18 | C17 | N6 | H28 | 97.5° | 0.0° |
| C17 | C18 | O3 | H30 | 180.0° | 60.1° |
| C17 | C18 | C19 | H31 | 58.6° | 59.6° |
| C18 | C19 | N8 | C32 | 171.8° | 169.0° |
| C18 | C19 | N8 | C20 | 124.7° | 119.6° |
| C18 | C19 | N8 | H31 | 116.7° | 120.5° |
| C19 | C18 | C17 | N6 | 50.0° | 175.0° |
| C18 | C19 | C20 | H31 | 120.6° | 120.4° |
| C18 | C19 | C20 | C21 | 161.3° | 170.1° |
| C19 | C18 | C17 | H13 | 70.0° | 65.0° |
| C19 | C18 | C17 | H14 | 169.9° | 55.0° |
| C18 | C19 | C20 | H15 | 40.8° | 69.8° |
| C18 | C19 | C20 | H16 | 78.2° | 50.0° |
| C19 | C18 | O3 | H30 | 55.6° | 59.9° |
| C18 | C19 | N8 | H42 | 67.7° | 67.6° |
| C32 | N8 | C19 | H42 | 120.5° | 123.4° |
| N8 | C32 | C31 | H40 | 120.3° | 120.3° |
| N8 | C32 | C31 | H41 | 120.3° | 120.1° |
| C32 | N8 | C19 | C20 | 63.5° | 71.3° |
| N8 | C32 | C31 | C30 | 160.3° | 162.7° |
| N8 | C32 | C31 | C21 | 20.3° | 17.6° |
| C32 | N8 | C19 | H31 | 55.1° | 48.6° |
| N8 | C32 | H40 | H41 | 119.1° | 119.4° |
| C19 | N8 | C32 | C31 | 51.9° | 52.6° |
| N8 | C19 | C20 | H31 | 119.2° | 120.0° |
| N8 | C19 | C20 | C21 | 41.1° | 50.5° |
| N8 | C19 | C20 | H15 | 79.4° | 170.6° |
| N8 | C19 | C20 | H16 | 161.6° | 69.7° |
| N8 | C19 | C18 | H29 | 57.5° | 59.0° |
| C19 | N8 | C32 | H40 | 68.4° | 172.9° |
| C19 | N8 | C32 | H41 | 172.2° | 67.6° |
| C15 | N5 | C7 | N2 | 0.6° | 0.2° |
| C15 | N5 | C7 | N1 | 178.6° | 180.0° |
| N5 | C15 | C14 | H27 | 179.1° | 179.9° |
| N6 | C17 | H13 | H14 | 120.2° | 120.0° |
| N6 | C17 | C18 | H29 | 68.3° | 55.0° |
| C32 | C31 | C30 | C21 | 179.4° | 179.8° |
| C32 | C31 | C21 | C20 | 1.1° | 0.5° |
| C32 | C31 | C30 | C24 | 179.7° | 179.6° |
| C32 | C31 | C21 | C22 | 179.5° | 179.5° |
| C32 | C31 | C30 | H39 | 0.3° | 0.4° |
| C31 | C32 | H40 | H41 | 119.1° | 119.6° |
| C31 | C32 | N8 | H42 | 68.6° | 70.9° |
| C19 | C20 | C21 | C31 | 11.7° | 17.0° |
| C19 | C20 | C21 | H15 | 120.5° | 120.2° |
| C19 | C20 | C21 | H16 | 120.4° | 120.2° |
| C19 | C20 | C21 | C22 | 168.8° | 163.1° |
| C19 | C20 | H15 | H16 | 118.6° | 119.8° |
| C20 | C19 | C18 | H29 | 179.6° | 60.0° |
| C20 | C19 | N8 | H42 | 57.0° | 52.1° |
| N2 | C7 | N5 | N1 | 178.1° | 179.8° |
| N2 | C7 | N1 | C5 | 13.5° | 180.0° |
| N2 | C7 | N1 | C4 | 152.0° | 55.9° |
| N5 | C7 | N1 | C5 | 168.4° | 0.2° |
| N5 | C7 | N1 | C4 | 29.9° | 124.0° |
| C7 | N1 | C5 | C4 | 140.3° | 124.0° |
| C7 | N1 | C5 | C6 | 83.1° | 174.2° |
| C7 | N1 | C4 | C3 | 83.4° | 174.2° |
| C7 | N1 | C4 | H2 | 36.8° | 65.8° |
| C7 | N1 | C4 | H3 | 156.4° | 54.2° |
| C7 | N1 | C5 | H4 | 156.7° | 54.2° |
| C7 | N1 | C5 | H5 | 37.0° | 65.8° |
| C30 | C31 | C21 | C20 | 179.6° | 179.7° |
| C31 | C30 | C24 | H39 | 180.0° | 180.0° |
| C30 | C31 | C21 | C22 | 0.1° | 0.2° |
| C31 | C30 | C24 | O4 | 179.4° | 180.0° |
| C31 | C30 | C24 | C23 | 0.3° | 0.0° |
| C30 | C31 | C32 | H40 | 79.4° | 42.3° |
| C30 | C31 | C32 | H41 | 40.0° | 77.3° |
| C31 | C21 | C20 | C22 | 179.4° | 179.9° |
| C21 | C31 | C30 | C24 | 0.3° | 0.2° |
| C31 | C21 | C22 | C23 | 0.0° | 0.1° |
| C31 | C21 | C20 | H15 | 108.7° | 137.1° |
| C31 | C21 | C20 | H16 | 132.2° | 103.2° |
| C31 | C21 | C22 | H17 | 179.9° | 179.9° |
| C21 | C31 | C30 | H39 | 179.7° | 179.9° |
| C21 | C31 | C32 | H40 | 100.0° | 137.9° |
| C21 | C31 | C32 | H41 | 140.6° | 102.5° |
| C20 | C21 | C22 | C23 | 179.4° | 179.8° |
| C21 | C20 | H15 | H16 | 118.6° | 119.7° |
| C20 | C21 | C22 | H17 | 0.6° | 0.2° |
| C21 | C20 | C19 | H31 | 78.1° | 69.5° |
| C30 | C24 | O4 | C23 | 179.1° | 180.0° |
| C30 | C24 | O4 | C25 | 23.8° | 180.0° |
| C30 | C24 | C23 | C22 | 0.2° | 0.0° |
| C30 | C24 | C23 | H32 | 179.8° | 179.9° |
| N1 | C5 | C6 | H4 | 120.1° | 120.0° |
| N1 | C5 | C6 | H5 | 120.1° | 120.1° |
| C5 | N1 | C4 | C3 | 56.4° | 61.8° |
| N1 | C5 | C6 | C2 | 58.3° | 59.2° |
| C5 | N1 | C4 | H2 | 176.6° | 58.3° |
| C5 | N1 | C4 | H3 | 63.8° | 178.2° |
| N1 | C5 | H4 | H5 | 119.6° | 120.0° |
| N1 | C5 | C6 | H6 | 178.2° | 60.7° |
| N1 | C5 | C6 | H7 | 61.7° | 179.1° |
| C4 | N1 | C5 | C6 | 57.1° | 61.8° |
| N1 | C4 | C3 | H2 | 120.2° | 120.1° |
| N1 | C4 | C3 | H3 | 120.2° | 119.9° |
| N1 | C4 | C3 | C2 | 56.7° | 59.2° |
| N1 | C4 | H2 | H3 | 119.4° | 119.9° |
| C4 | N1 | C5 | H4 | 63.0° | 178.2° |
| C4 | N1 | C5 | H5 | 177.2° | 58.3° |
| N1 | C4 | C3 | H22 | 63.3° | 179.1° |
| N1 | C4 | C3 | H23 | 176.7° | 60.7° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C22 | C21 | C20 | H15 | 70.7° | 43.0° |
| C22 | C21 | C20 | H16 | 48.4° | 76.7° |
| C21 | C22 | C23 | H32 | 180.0° | 179.9° |
| C5 | C6 | C2 | H6 | 120.0° | 119.9° |
| C5 | C6 | C2 | H7 | 119.9° | 119.9° |
| C5 | C6 | C2 | C3 | 59.7° | 57.7° |
| C5 | C6 | C2 | C1 | 179.9° | 62.3° |
| C6 | C5 | H4 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | H7 | 120.1° | 120.1° |
| C5 | C6 | C2 | H21 | 59.6° | 177.6° |
| C4 | C3 | C2 | C6 | 58.9° | 57.7° |
| C4 | C3 | C2 | H22 | 120.0° | 119.9° |
| C4 | C3 | C2 | H23 | 120.0° | 119.9° |
| C4 | C3 | C2 | C1 | 179.8° | 62.3° |
| C3 | C4 | H2 | H3 | 119.4° | 120.0° |
| C4 | C3 | C2 | H21 | 60.4° | 177.6° |
| C4 | C3 | H22 | H23 | 120.0° | 120.1° |
| C24 | O4 | C25 | C26 | 173.0° | 180.0° |
| O4 | C24 | C23 | C22 | 179.3° | 179.9° |
| O4 | C24 | C23 | H32 | 0.7° | 0.1° |
| C24 | O4 | C25 | H33 | 67.6° | 60.0° |
| C24 | O4 | C25 | H34 | 53.7° | 60.0° |
| O4 | C24 | C30 | H39 | 0.6° | 0.0° |
| C23 | C24 | O4 | C25 | 157.1° | 0.0° |
| C24 | C23 | C22 | H32 | 180.0° | 180.0° |
| C24 | C23 | C22 | H17 | 180.0° | 180.0° |
| C23 | C24 | C30 | H39 | 179.7° | 180.0° |
| O4 | C25 | C26 | H33 | 119.3° | 120.1° |
| O4 | C25 | C26 | H34 | 119.3° | 120.0° |
| O4 | C25 | C26 | C28 | 107.6° | 90.0° |
| O4 | C25 | C26 | O5 | 69.6° | 89.7° |
| O4 | C25 | H33 | H34 | 122.0° | 120.0° |
| C25 | C26 | C28 | O5 | 177.5° | 179.7° |
| C25 | C26 | C28 | C29 | 3.2° | 0.3° |
| C25 | C26 | C28 | N7 | 178.3° | 179.7° |
| C25 | C26 | O5 | C27 | 178.4° | 179.7° |
| C26 | C25 | H33 | H34 | 122.0° | 119.9° |
| C6 | C2 | C3 | C1 | 120.9° | 120.0° |
| C6 | C2 | C3 | H21 | 119.3° | 119.9° |
| C6 | C2 | C1 | H21 | 120.3° | 120.1° |
| C2 | C6 | C5 | H4 | 61.9° | 179.2° |
| C2 | C6 | C5 | H5 | 178.4° | 60.9° |
| C2 | C6 | H6 | H7 | 120.1° | 120.2° |
| C6 | C2 | C1 | H18 | 180.0° | 60.0° |
| C6 | C2 | C1 | H19 | 60.0° | 180.0° |
| C6 | C2 | C1 | H20 | 60.0° | 60.0° |
| C6 | C2 | C3 | H22 | 61.1° | 177.6° |
| C6 | C2 | C3 | H23 | 178.9° | 62.2° |
| C3 | C2 | C1 | H21 | 119.8° | 120.2° |
| C2 | C3 | C4 | H2 | 176.9° | 60.9° |
| C2 | C3 | C4 | H3 | 63.5° | 179.2° |
| C3 | C2 | C6 | H6 | 179.7° | 62.2° |
| C3 | C2 | C6 | H7 | 60.2° | 177.6° |
| C3 | C2 | C1 | H18 | 60.1° | 59.8° |
| C3 | C2 | C1 | H19 | 179.9° | 60.3° |
| C3 | C2 | C1 | H20 | 59.9° | 179.7° |
| C2 | C3 | H22 | H23 | 120.0° | 120.1° |
| C26 | C28 | C29 | N7 | 178.3° | 180.0° |
| C28 | C26 | O5 | C27 | 0.6° | 0.0° |
| C26 | C28 | N7 | C27 | 0.7° | 0.0° |
| C28 | C26 | C25 | H33 | 133.0° | 149.9° |
| C28 | C26 | C25 | H34 | 11.7° | 30.0° |
| C26 | C28 | C29 | H36 | 178.3° | 90.0° |
| C26 | C28 | C29 | H37 | 58.3° | 150.0° |
| C26 | C28 | C29 | H38 | 61.7° | 30.0° |
| O5 | C26 | C28 | C29 | 179.2° | 180.0° |
| O5 | C26 | C28 | N7 | 0.8° | 0.0° |
| C26 | O5 | C27 | N7 | 0.1° | 0.0° |
| O5 | C26 | C25 | H33 | 49.7° | 30.4° |
| O5 | C26 | C25 | H34 | 171.1° | 150.3° |
| C26 | O5 | C27 | H35 | 179.8° | 180.0° |
| C1 | C2 | C6 | H6 | 59.9° | 177.8° |
| C1 | C2 | C6 | H7 | 60.2° | 57.6° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H20 | 120.0° | 119.9° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 59.8° | 57.7° |
| C1 | C2 | C3 | H23 | 60.2° | 177.8° |
| C29 | C28 | N7 | C27 | 179.4° | 180.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H38 | 120.0° | 120.0° |
| C28 | C29 | H37 | H38 | 120.0° | 120.0° |
| C28 | N7 | C27 | O5 | 0.4° | 0.0° |
| C28 | N7 | C27 | H35 | 179.7° | 180.0° |
| N7 | C28 | C29 | H36 | 0.0° | 90.0° |
| N7 | C28 | C29 | H37 | 120.0° | 30.0° |
| N7 | C28 | C29 | H38 | 120.0° | 150.0° |
| O5 | C27 | N7 | H35 | 180.0° | 180.0° |
| H1 | N3 | C9 | H24 | 161.9° | 156.6° |
| H2 | C4 | C3 | H22 | 56.9° | 59.1° |
| H2 | C4 | C3 | H23 | 63.1° | 179.2° |
| H3 | C4 | C3 | H22 | 176.5° | 60.9° |
| H3 | C4 | C3 | H23 | 56.4° | 59.2° |
| H4 | C5 | C6 | H6 | 58.1° | 59.3° |
| H4 | C5 | C6 | H7 | 178.2° | 60.9° |
| H5 | C5 | C6 | H6 | 61.7° | 179.2° |
| H5 | C5 | C6 | H7 | 58.4° | 59.0° |
| H6 | C6 | C2 | H21 | 60.4° | 57.7° |
| H7 | C6 | C2 | H21 | 179.5° | 62.5° |
| H8 | C10 | C9 | H24 | 9.8° | 23.4° |
| H9 | C10 | C9 | H24 | 118.0° | 154.9° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
| H13 | C17 | N6 | H28 | 22.4° | 120.0° |
| H13 | C17 | C18 | H29 | 171.8° | 175.0° |
| H14 | C17 | N6 | H28 | 142.6° | 120.0° |
| H14 | C17 | C18 | H29 | 51.6° | 65.0° |
| H15 | C20 | C19 | H31 | 161.4° | 50.6° |
| H16 | C20 | C19 | H31 | 42.4° | 170.3° |
| H17 | C22 | C23 | H32 | 0.0° | 0.1° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H18 | C1 | C2 | H21 | 59.7° | 180.0° |
| H19 | C1 | C2 | H21 | 60.3° | 59.9° |
| H20 | C1 | C2 | H21 | 179.7° | 60.1° |
| H21 | C2 | C3 | H22 | 179.6° | 62.5° |
| H21 | C2 | C3 | H23 | 59.6° | 57.7° |
| H24 | C9 | C11 | H25 | 118.0° | 155.0° |
| H24 | C9 | C11 | H26 | 9.8° | 23.5° |
| H29 | C18 | O3 | H30 | 63.1° | 180.0° |
| H29 | C18 | C19 | H31 | 59.7° | 179.6° |
| H31 | C19 | N8 | H42 | 175.7° | 172.0° |
| H36 | C29 | H37 | H38 | 120.0° | 120.0° |
| H40 | C32 | N8 | H42 | 171.1° | 49.4° |
| H41 | C32 | N8 | H42 | 51.7° | 169.0° |
