A1ARA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.18Å | |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C1 | N6 | sing | 1.35Å | 1.45Å | |
| N1 | C5 | sing | 1.38Å | 1.47Å | |
| N1 | C6 | sing | 1.34Å | 1.44Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C12 | sing | 1.41Å | 1.44Å | |
| N2 | C13 | sing | 1.35Å | 1.43Å | |
| O2 | C17 | sing | 1.35Å | 1.40Å | |
| O2 | C18 | sing | 1.45Å | 1.40Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | C15 | sing | 1.47Å | 1.42Å | |
| O3 | C17 | doub | 1.21Å | 1.19Å | |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| N4 | C16 | sing | 1.47Å | 1.47Å | |
| N4 | C17 | sing | 1.35Å | 1.45Å | |
| N4 | C22 | sing | 1.47Å | 1.47Å | |
| O4 | C13 | doub | 1.21Å | 1.17Å | |
| C5 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| N5 | C23 | sing | 1.36Å | 1.41Å | Aromatic |
| O5 | C6 | doub | 1.22Å | 1.40Å | |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| N6 | C27 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | |
| C7 | C25 | sing | 1.48Å | 1.51Å | |
| C8 | C9 | sing | 1.41Å | 1.49Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.40Å | 1.45Å | Aromatic |
| C12 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C22 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.32Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.53Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.53Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.32Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.53Å | Aromatic |
| C32 | F1 | sing | 1.35Å | 1.37Å | |
| C33 | C34 | doub | 1.38Å | 1.32Å | Aromatic |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H10 | sing | 1.01Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.3° | 120.0° |
| O1 | C1 | N6 | 121.7° | 120.0° |
| C2 | C1 | N6 | 116.1° | 120.0° |
| C1 | C2 | C3 | 123.3° | 120.1° |
| C1 | C2 | C26 | 117.1° | 120.1° |
| C1 | N6 | C27 | 123.0° | 120.0° |
| C1 | N6 | H31 | 118.5° | 120.0° |
| C5 | N1 | C6 | 108.9° | 111.5° |
| N1 | C5 | C4 | 129.6° | 131.5° |
| N1 | C5 | C25 | 109.6° | 109.2° |
| C5 | N1 | H3 | 125.6° | 124.3° |
| N1 | C6 | O5 | 127.2° | 126.0° |
| N1 | C6 | C7 | 107.1° | 108.0° |
| C6 | N1 | H3 | 125.5° | 124.3° |
| C3 | C2 | C26 | 119.6° | 119.8° |
| C2 | C3 | C4 | 121.0° | 120.5° |
| C2 | C3 | H1 | 119.5° | 119.8° |
| C2 | C26 | C25 | 120.0° | 119.6° |
| C2 | C26 | H30 | 120.0° | 120.2° |
| C12 | N2 | C13 | 128.2° | 120.0° |
| N2 | C12 | C10 | 123.9° | 126.1° |
| N2 | C12 | C23 | 128.3° | 126.1° |
| C12 | N2 | H8 | 115.9° | 120.0° |
| N2 | C13 | O4 | 121.4° | 120.0° |
| N2 | C13 | C14 | 114.4° | 120.0° |
| C13 | N2 | H8 | 115.9° | 120.0° |
| C17 | O2 | C18 | 120.3° | 117.0° |
| O2 | C17 | O3 | 119.3° | 120.0° |
| O2 | C17 | N4 | 121.9° | 119.9° |
| O2 | C18 | C19 | 107.8° | 109.5° |
| O2 | C18 | C20 | 113.7° | 109.5° |
| O2 | C18 | C21 | 108.1° | 109.4° |
| C3 | C4 | C5 | 118.5° | 120.3° |
| C4 | C3 | H1 | 119.5° | 119.8° |
| C3 | C4 | H2 | 120.8° | 119.9° |
| C14 | N3 | C15 | 109.3° | 111.3° |
| N3 | C14 | C13 | 110.6° | 109.5° |
| N3 | C14 | C22 | 110.0° | 109.4° |
| N3 | C14 | H9 | 107.0° | 109.5° |
| C14 | N3 | H10 | 109.5° | 111.0° |
| N3 | C15 | C16 | 112.3° | 109.4° |
| N3 | C15 | H11 | 108.8° | 109.5° |
| N3 | C15 | H12 | 108.8° | 109.5° |
| C15 | N3 | H10 | 109.5° | 111.0° |
| O3 | C17 | N4 | 118.9° | 120.0° |
| C4 | C5 | C25 | 120.9° | 119.3° |
| C5 | C4 | H2 | 120.8° | 119.8° |
| C16 | N4 | C17 | 119.4° | 120.9° |
| C16 | N4 | C22 | 120.2° | 118.2° |
| N4 | C16 | C15 | 111.6° | 108.5° |
| N4 | C16 | H13 | 108.9° | 109.6° |
| N4 | C16 | H14 | 108.9° | 109.8° |
| C17 | N4 | C22 | 120.4° | 120.9° |
| N4 | C22 | C14 | 106.8° | 108.5° |
| N4 | C22 | H24 | 110.1° | 109.6° |
| N4 | C22 | H25 | 110.1° | 109.8° |
| O4 | C13 | C14 | 124.3° | 120.0° |
| C5 | C25 | C7 | 108.6° | 106.2° |
| C5 | C25 | C26 | 120.1° | 120.5° |
| C9 | N5 | C23 | 109.9° | 108.7° |
| N5 | C9 | C8 | 133.4° | 126.2° |
| N5 | C9 | C10 | 106.6° | 107.5° |
| C9 | N5 | H29 | 125.0° | 125.7° |
| N5 | C23 | C12 | 107.4° | 108.9° |
| N5 | C23 | C24 | 127.2° | 125.5° |
| C23 | N5 | H29 | 125.1° | 125.7° |
| O5 | C6 | C7 | 125.7° | 126.0° |
| C6 | C7 | C8 | 135.1° | 127.5° |
| C6 | C7 | C25 | 105.8° | 105.1° |
| N6 | C27 | C28 | 108.8° | 109.5° |
| N6 | C27 | C29 | 106.8° | 109.5° |
| C27 | N6 | H31 | 118.5° | 120.0° |
| N6 | C27 | H32 | 110.6° | 109.5° |
| C8 | C7 | C25 | 119.1° | 127.5° |
| C7 | C8 | C9 | 121.0° | 120.0° |
| C7 | C8 | H4 | 119.5° | 120.0° |
| C7 | C25 | C26 | 131.3° | 133.2° |
| C8 | C9 | C10 | 114.4° | 126.2° |
| C9 | C8 | H4 | 119.5° | 120.0° |
| C9 | C10 | C11 | 123.7° | 126.5° |
| C9 | C10 | C12 | 108.6° | 107.1° |
| C11 | C10 | C12 | 127.6° | 126.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C12 | C23 | 106.9° | 107.8° |
| C12 | C23 | C24 | 125.0° | 125.6° |
| C13 | C14 | C22 | 116.3° | 109.5° |
| C13 | C14 | H9 | 106.2° | 109.5° |
| C22 | C14 | H9 | 106.3° | 109.5° |
| C14 | C22 | H24 | 110.1° | 109.6° |
| C14 | C22 | H25 | 110.1° | 109.6° |
| C16 | C15 | H11 | 108.8° | 109.5° |
| C16 | C15 | H12 | 108.7° | 109.5° |
| C15 | C16 | H13 | 108.9° | 109.6° |
| C15 | C16 | H14 | 108.9° | 109.7° |
| C19 | C18 | C20 | 109.3° | 109.5° |
| C19 | C18 | C21 | 109.3° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C20 | C18 | C21 | 108.4° | 109.5° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C21 | H22 | 109.5° | 109.5° |
| C18 | C21 | H21 | 109.4° | 109.5° |
| C18 | C21 | H23 | 109.5° | 109.5° |
| C23 | C24 | H28 | 109.5° | 109.4° |
| C23 | C24 | H26 | 109.5° | 109.5° |
| C23 | C24 | H27 | 109.5° | 109.5° |
| C25 | C26 | H30 | 120.0° | 120.2° |
| C28 | C27 | C29 | 111.3° | 109.5° |
| C27 | C28 | H34 | 109.5° | 109.5° |
| C27 | C28 | H33 | 109.5° | 109.5° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| C28 | C27 | H32 | 109.7° | 109.5° |
| C27 | C29 | C30 | 120.1° | 119.9° |
| C27 | C29 | C34 | 120.1° | 120.0° |
| C29 | C27 | H32 | 109.6° | 109.5° |
| C30 | C29 | C34 | 119.7° | 120.1° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C29 | C30 | H36 | 119.9° | 120.0° |
| C29 | C34 | C33 | 120.0° | 120.0° |
| C29 | C34 | H39 | 120.0° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H36 | 119.8° | 120.0° |
| C30 | C31 | H37 | 120.1° | 120.0° |
| C31 | C32 | C33 | 119.9° | 120.0° |
| C31 | C32 | F1 | 120.1° | 120.1° |
| C32 | C31 | H37 | 120.1° | 120.0° |
| C33 | C32 | F1 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.2° | 119.9° |
| C32 | C33 | H38 | 119.9° | 120.1° |
| C34 | C33 | H38 | 119.9° | 120.0° |
| C33 | C34 | H39 | 120.0° | 120.0° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H19 | C20 | H18 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.4° |
| H28 | C24 | H26 | 109.5° | 109.5° |
| H28 | C24 | H27 | 109.5° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H34 | C28 | H33 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.4° |
| H33 | C28 | H35 | 109.5° | 109.5° |
| H6 | C11 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.6° |
| H15 | C19 | H17 | 109.4° | 109.5° |
| H15 | C19 | H16 | 109.4° | 109.4° |
| H17 | C19 | H16 | 109.5° | 109.5° |
| H22 | C21 | H21 | 109.4° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N6 | 179.4° | 180.0° |
| O1 | C1 | C2 | C3 | 46.4° | 180.0° |
| O1 | C1 | C2 | C26 | 134.9° | 0.1° |
| O1 | C1 | N6 | C27 | 1.1° | 0.0° |
| O1 | C1 | N6 | H31 | 178.9° | 180.0° |
| C1 | C2 | C3 | C26 | 178.7° | 179.9° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | C1 | N6 | C27 | 179.5° | 180.0° |
| C1 | C2 | C26 | C25 | 179.3° | 180.0° |
| C1 | C2 | C26 | H30 | 0.7° | 0.1° |
| C1 | C2 | C3 | H1 | 0.5° | 0.0° |
| C2 | C1 | N6 | H31 | 0.5° | 0.0° |
| N6 | C1 | C2 | C3 | 134.2° | 0.0° |
| N6 | C1 | C2 | C26 | 44.5° | 180.0° |
| C1 | N6 | C27 | H31 | 180.0° | 180.0° |
| C1 | N6 | C27 | C28 | 109.7° | 85.0° |
| C1 | N6 | C27 | C29 | 130.1° | 155.0° |
| C1 | N6 | C27 | H32 | 10.9° | 35.0° |
| C5 | N1 | C6 | H3 | 180.0° | 180.0° |
| N1 | C5 | C4 | C3 | 179.5° | 179.7° |
| N1 | C5 | C4 | C25 | 179.7° | 179.8° |
| C5 | N1 | C6 | O5 | 179.6° | 179.7° |
| C5 | N1 | C6 | C7 | 0.1° | 0.3° |
| N1 | C5 | C25 | C7 | 0.3° | 0.2° |
| N1 | C5 | C25 | C26 | 179.9° | 179.7° |
| N1 | C5 | C4 | H2 | 0.5° | 0.2° |
| C6 | N1 | C5 | C4 | 180.0° | 179.7° |
| C6 | N1 | C5 | C25 | 0.3° | 0.0° |
| N1 | C6 | O5 | C7 | 179.7° | 180.0° |
| N1 | C6 | C7 | C8 | 179.6° | 180.0° |
| N1 | C6 | C7 | C25 | 0.0° | 0.4° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C26 | C25 | 0.5° | 0.0° |
| C3 | C2 | C26 | H30 | 179.5° | 180.0° |
| C2 | C3 | C4 | H2 | 179.3° | 180.0° |
| C26 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C26 | C25 | C5 | 0.1° | 0.0° |
| C2 | C26 | C25 | C7 | 179.8° | 179.9° |
| C2 | C26 | C25 | H30 | 180.0° | 180.0° |
| C26 | C2 | C3 | H1 | 179.2° | 180.0° |
| C12 | N2 | C13 | H8 | 180.0° | 180.0° |
| C12 | N2 | C13 | O4 | 8.9° | 5.5° |
| N2 | C12 | C23 | N5 | 177.3° | 179.8° |
| N2 | C12 | C10 | C9 | 176.0° | 179.7° |
| N2 | C12 | C10 | C11 | 7.4° | 0.1° |
| N2 | C12 | C10 | C23 | 170.2° | 179.9° |
| C12 | N2 | C13 | C14 | 170.7° | 174.5° |
| N2 | C12 | C23 | C24 | 9.1° | 0.1° |
| N2 | C13 | C14 | N3 | 162.9° | 160.1° |
| N2 | C13 | O4 | C14 | 179.5° | 180.0° |
| C13 | N2 | C12 | C10 | 47.8° | 30.4° |
| C13 | N2 | C12 | C23 | 144.2° | 149.7° |
| N2 | C13 | C14 | C22 | 70.7° | 80.0° |
| N2 | C13 | C14 | H9 | 47.3° | 40.0° |
| O2 | C17 | O3 | N4 | 179.2° | 179.9° |
| O2 | C17 | N4 | C16 | 132.9° | 0.1° |
| O2 | C17 | N4 | C22 | 47.4° | 180.0° |
| C17 | O2 | C18 | C19 | 109.7° | 59.9° |
| C17 | O2 | C18 | C20 | 11.7° | 180.0° |
| C17 | O2 | C18 | C21 | 132.2° | 60.0° |
| C18 | O2 | C17 | O3 | 129.8° | 0.1° |
| C18 | O2 | C17 | N4 | 51.0° | 180.0° |
| O2 | C18 | C19 | C20 | 124.1° | 120.0° |
| O2 | C18 | C19 | C21 | 117.3° | 119.9° |
| O2 | C18 | C20 | C21 | 120.3° | 120.0° |
| O2 | C18 | C20 | H19 | 180.0° | 60.0° |
| O2 | C18 | C20 | H18 | 60.0° | 60.0° |
| O2 | C18 | C20 | H20 | 60.0° | 179.9° |
| O2 | C18 | C19 | H15 | 180.0° | 180.0° |
| O2 | C18 | C19 | H17 | 60.0° | 60.0° |
| O2 | C18 | C19 | H16 | 60.0° | 60.1° |
| O2 | C18 | C21 | H22 | 180.0° | 180.0° |
| O2 | C18 | C21 | H21 | 60.0° | 60.0° |
| O2 | C18 | C21 | H23 | 60.0° | 60.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C25 | 0.2° | 0.1° |
| C14 | N3 | C15 | H10 | 120.0° | 124.1° |
| N3 | C14 | C22 | N4 | 41.6° | 53.8° |
| N3 | C14 | C13 | O4 | 16.6° | 19.9° |
| N3 | C14 | C13 | C22 | 126.4° | 119.9° |
| N3 | C14 | C13 | H9 | 115.7° | 120.1° |
| N3 | C14 | C22 | H9 | 115.4° | 120.0° |
| C14 | N3 | C15 | C16 | 42.9° | 63.1° |
| C14 | N3 | C15 | H11 | 163.3° | 56.8° |
| C14 | N3 | C15 | H12 | 77.6° | 176.9° |
| N3 | C14 | C22 | H24 | 78.0° | 173.5° |
| N3 | C14 | C22 | H25 | 161.2° | 66.0° |
| N3 | C15 | C16 | N4 | 14.1° | 53.8° |
| C15 | N3 | C14 | C13 | 154.4° | 177.0° |
| C15 | N3 | C14 | C22 | 75.8° | 63.1° |
| N3 | C15 | C16 | H11 | 120.5° | 119.9° |
| N3 | C15 | C16 | H12 | 120.5° | 120.0° |
| N3 | C15 | H11 | H12 | 118.7° | 120.1° |
| C15 | N3 | C14 | H9 | 39.2° | 56.9° |
| N3 | C15 | C16 | H13 | 106.2° | 65.9° |
| N3 | C15 | C16 | H14 | 134.5° | 173.7° |
| O3 | C17 | N4 | C16 | 48.0° | 180.0° |
| O3 | C17 | N4 | C22 | 131.8° | 0.1° |
| C4 | C5 | C25 | C7 | 180.0° | 180.0° |
| C4 | C5 | C25 | C26 | 0.1° | 0.1° |
| C5 | C4 | C3 | H1 | 179.3° | 180.0° |
| C4 | C5 | N1 | H3 | 0.0° | 0.2° |
| C16 | N4 | C17 | C22 | 179.8° | 179.9° |
| C16 | N4 | C22 | C14 | 18.2° | 51.2° |
| N4 | C16 | C15 | H13 | 120.3° | 119.7° |
| N4 | C16 | C15 | H14 | 120.3° | 119.9° |
| N4 | C16 | C15 | H11 | 106.3° | 66.1° |
| N4 | C16 | C15 | H12 | 134.6° | 173.9° |
| N4 | C16 | H13 | H14 | 119.0° | 120.5° |
| C16 | N4 | C22 | H24 | 137.8° | 170.9° |
| C16 | N4 | C22 | H25 | 101.4° | 68.6° |
| C17 | N4 | C22 | C14 | 161.6° | 128.9° |
| C17 | N4 | C16 | C15 | 132.0° | 128.9° |
| C17 | N4 | C16 | H13 | 107.7° | 111.4° |
| C17 | N4 | C16 | H14 | 11.7° | 9.0° |
| C17 | N4 | C22 | H24 | 42.0° | 9.2° |
| C17 | N4 | C22 | H25 | 78.8° | 111.4° |
| N4 | C22 | C14 | C13 | 168.3° | 173.8° |
| N4 | C22 | C14 | H24 | 119.6° | 119.7° |
| N4 | C22 | C14 | H25 | 119.6° | 119.9° |
| C22 | N4 | C16 | C15 | 47.8° | 51.2° |
| N4 | C22 | C14 | H9 | 73.8° | 66.2° |
| C22 | N4 | C16 | H13 | 72.5° | 68.5° |
| C22 | N4 | C16 | H14 | 168.1° | 171.1° |
| N4 | C22 | H24 | H25 | 121.2° | 120.6° |
| O4 | C13 | C14 | C22 | 109.8° | 100.0° |
| O4 | C13 | N2 | H8 | 171.1° | 174.5° |
| O4 | C13 | C14 | H9 | 132.3° | 140.0° |
| C5 | C25 | C7 | C6 | 0.2° | 0.3° |
| C5 | C25 | C7 | C8 | 179.5° | 179.9° |
| C5 | C25 | C7 | C26 | 179.9° | 179.9° |
| C5 | C25 | C26 | H30 | 180.0° | 180.0° |
| C25 | C5 | C4 | H2 | 179.8° | 180.0° |
| C25 | C5 | N1 | H3 | 179.7° | 180.0° |
| C9 | N5 | C23 | H29 | 180.0° | 179.9° |
| N5 | C9 | C8 | C7 | 13.1° | 34.4° |
| N5 | C9 | C8 | C10 | 149.4° | 180.0° |
| N5 | C9 | C10 | C11 | 178.3° | 180.0° |
| N5 | C9 | C10 | C12 | 1.5° | 0.2° |
| C9 | N5 | C23 | C12 | 7.0° | 0.0° |
| C9 | N5 | C23 | C24 | 179.6° | 179.9° |
| N5 | C9 | C8 | H4 | 166.9° | 145.6° |
| C23 | N5 | C9 | C8 | 147.8° | 179.8° |
| C23 | N5 | C9 | C10 | 3.3° | 0.1° |
| N5 | C23 | C12 | C10 | 7.7° | 0.1° |
| N5 | C23 | C12 | C24 | 173.6° | 180.0° |
| N5 | C23 | C24 | H28 | 86.0° | 85.0° |
| N5 | C23 | C24 | H26 | 154.0° | 35.0° |
| N5 | C23 | C24 | H27 | 34.0° | 155.1° |
| O5 | C6 | C7 | C8 | 0.1° | 0.0° |
| O5 | C6 | C7 | C25 | 179.7° | 179.6° |
| O5 | C6 | N1 | H3 | 0.4° | 0.2° |
| C6 | C7 | C8 | C25 | 179.6° | 179.5° |
| C6 | C7 | C8 | C9 | 4.6° | 8.2° |
| C6 | C7 | C25 | C26 | 180.0° | 179.6° |
| C6 | C7 | C8 | H4 | 175.4° | 171.8° |
| C7 | C6 | N1 | H3 | 179.8° | 179.8° |
| N6 | C27 | C28 | C29 | 117.4° | 120.0° |
| N6 | C27 | C28 | H32 | 121.2° | 120.0° |
| N6 | C27 | C29 | H32 | 119.9° | 120.0° |
| N6 | C27 | C29 | C30 | 62.6° | 140.0° |
| N6 | C27 | C29 | C34 | 116.9° | 39.7° |
| N6 | C27 | C28 | H34 | 180.0° | 60.0° |
| N6 | C27 | C28 | H33 | 60.0° | 180.0° |
| N6 | C27 | C28 | H35 | 60.0° | 60.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 162.5° | 145.7° |
| C8 | C7 | C25 | C26 | 0.3° | 0.0° |
| C25 | C7 | C8 | C9 | 175.8° | 172.3° |
| C25 | C7 | C8 | H4 | 4.2° | 7.7° |
| C7 | C25 | C26 | H30 | 0.2° | 0.0° |
| C8 | C9 | C10 | C11 | 24.4° | 0.1° |
| C8 | C9 | C10 | C12 | 158.9° | 179.7° |
| C8 | C9 | N5 | H29 | 32.2° | 0.1° |
| C9 | C10 | C11 | C12 | 176.1° | 179.8° |
| C9 | C10 | C12 | C23 | 5.8° | 0.2° |
| C10 | C9 | C8 | H4 | 17.5° | 34.3° |
| C9 | C10 | C11 | H6 | 91.8° | 82.4° |
| C9 | C10 | C11 | H5 | 148.2° | 37.6° |
| C9 | C10 | C11 | H7 | 28.2° | 157.5° |
| C10 | C9 | N5 | H29 | 176.7° | 180.0° |
| C11 | C10 | C12 | C23 | 177.6° | 180.0° |
| C10 | C11 | H6 | H5 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C12 | C23 | C24 | 178.7° | 179.9° |
| C10 | C12 | N2 | H8 | 132.2° | 149.7° |
| C12 | C10 | C11 | H6 | 92.1° | 97.8° |
| C12 | C10 | C11 | H5 | 27.9° | 142.2° |
| C12 | C10 | C11 | H7 | 147.9° | 22.3° |
| C12 | C23 | C24 | H28 | 86.3° | 95.0° |
| C12 | C23 | C24 | H26 | 33.7° | 145.0° |
| C12 | C23 | C24 | H27 | 153.7° | 25.0° |
| C23 | C12 | N2 | H8 | 35.8° | 30.2° |
| C12 | C23 | N5 | H29 | 173.0° | 179.9° |
| C13 | C14 | C22 | H9 | 117.9° | 120.0° |
| C14 | C13 | N2 | H8 | 9.3° | 5.6° |
| C13 | C14 | C22 | H24 | 48.7° | 66.5° |
| C13 | C14 | C22 | H25 | 72.2° | 54.0° |
| C13 | C14 | N3 | H10 | 85.6° | 58.9° |
| C14 | C22 | H24 | H25 | 121.2° | 120.4° |
| C22 | C14 | N3 | H10 | 44.2° | 61.0° |
| C16 | C15 | H11 | H12 | 118.7° | 120.0° |
| C15 | C16 | H13 | H14 | 119.0° | 120.4° |
| C16 | C15 | N3 | H10 | 77.1° | 61.0° |
| C19 | C18 | C20 | C21 | 119.1° | 120.0° |
| C19 | C18 | C20 | H19 | 59.4° | 60.0° |
| C19 | C18 | C20 | H18 | 179.4° | 180.0° |
| C19 | C18 | C20 | H20 | 60.6° | 60.0° |
| C18 | C19 | H15 | H17 | 120.0° | 120.1° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C18 | C19 | H17 | H16 | 120.0° | 120.0° |
| C19 | C18 | C21 | H22 | 62.8° | 60.1° |
| C19 | C18 | C21 | H21 | 57.1° | 180.0° |
| C19 | C18 | C21 | H23 | 177.1° | 60.0° |
| C18 | C20 | H19 | H18 | 120.0° | 120.0° |
| C18 | C20 | H19 | H20 | 120.0° | 120.0° |
| C18 | C20 | H18 | H20 | 120.0° | 120.0° |
| C20 | C18 | C19 | H15 | 55.9° | 59.9° |
| C20 | C18 | C19 | H17 | 64.1° | 180.0° |
| C20 | C18 | C19 | H16 | 175.9° | 60.0° |
| C20 | C18 | C21 | H22 | 56.3° | 59.9° |
| C20 | C18 | C21 | H21 | 176.2° | 60.0° |
| C20 | C18 | C21 | H23 | 63.8° | 180.0° |
| C21 | C18 | C20 | H19 | 59.7° | 180.0° |
| C21 | C18 | C20 | H18 | 60.3° | 60.0° |
| C21 | C18 | C20 | H20 | 179.7° | 60.0° |
| C21 | C18 | C19 | H15 | 62.7° | 60.1° |
| C21 | C18 | C19 | H17 | 177.3° | 59.9° |
| C21 | C18 | C19 | H16 | 57.3° | 180.0° |
| C18 | C21 | H22 | H21 | 120.0° | 120.0° |
| C18 | C21 | H22 | H23 | 120.0° | 120.1° |
| C18 | C21 | H21 | H23 | 120.0° | 120.1° |
| C23 | C24 | H28 | H26 | 120.0° | 120.0° |
| C23 | C24 | H28 | H27 | 120.0° | 119.9° |
| C23 | C24 | H26 | H27 | 120.0° | 120.0° |
| C24 | C23 | N5 | H29 | 0.4° | 0.1° |
| C28 | C27 | C29 | H32 | 121.5° | 120.0° |
| C28 | C27 | C29 | C30 | 56.0° | 100.0° |
| C28 | C27 | C29 | C34 | 124.5° | 80.3° |
| C27 | C28 | H34 | H33 | 120.0° | 120.1° |
| C27 | C28 | H34 | H35 | 120.0° | 120.0° |
| C27 | C28 | H33 | H35 | 120.0° | 120.0° |
| C28 | C27 | N6 | H31 | 70.3° | 95.0° |
| C27 | C29 | C30 | C34 | 179.4° | 179.7° |
| C27 | C29 | C30 | C31 | 180.0° | 180.0° |
| C27 | C29 | C34 | C33 | 180.0° | 179.7° |
| C29 | C27 | C28 | H34 | 62.6° | 180.0° |
| C29 | C27 | C28 | H33 | 57.4° | 60.0° |
| C29 | C27 | C28 | H35 | 177.4° | 60.0° |
| C29 | C27 | N6 | H31 | 49.9° | 25.0° |
| C27 | C29 | C30 | H36 | 0.0° | 0.0° |
| C27 | C29 | C34 | H39 | 0.0° | 0.0° |
| C29 | C30 | C31 | H36 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C34 | C33 | 0.6° | 0.5° |
| C30 | C29 | C27 | H32 | 177.6° | 20.0° |
| C29 | C30 | C31 | H37 | 179.7° | 180.0° |
| C30 | C29 | C34 | H39 | 179.5° | 179.8° |
| C34 | C29 | C30 | C31 | 0.6° | 0.2° |
| C29 | C34 | C33 | C32 | 0.3° | 0.5° |
| C29 | C34 | C33 | H39 | 180.0° | 179.7° |
| C34 | C29 | C27 | H32 | 3.0° | 159.7° |
| C34 | C29 | C30 | H36 | 179.4° | 179.8° |
| C29 | C34 | C33 | H38 | 179.8° | 179.7° |
| C30 | C31 | C32 | H37 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | F1 | 180.0° | 180.0° |
| C31 | C32 | C33 | F1 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.3° |
| C32 | C31 | C30 | H36 | 179.7° | 180.0° |
| C31 | C32 | C33 | H38 | 180.0° | 180.0° |
| C32 | C33 | C34 | H38 | 180.0° | 179.8° |
| C33 | C32 | C31 | H37 | 180.0° | 180.0° |
| C32 | C33 | C34 | H39 | 179.8° | 179.8° |
| F1 | C32 | C33 | C34 | 180.0° | 179.8° |
| F1 | C32 | C31 | H37 | 0.1° | 0.0° |
| F1 | C32 | C33 | H38 | 0.0° | 0.0° |
| H11 | C15 | C16 | H13 | 133.3° | 174.1° |
| H11 | C15 | C16 | H14 | 14.0° | 53.8° |
| H11 | C15 | N3 | H10 | 43.3° | 179.0° |
| H12 | C15 | C16 | H13 | 14.3° | 54.1° |
| H12 | C15 | C16 | H14 | 105.1° | 66.2° |
| H12 | C15 | N3 | H10 | 162.4° | 59.0° |
| H19 | C20 | H18 | H20 | 120.0° | 120.0° |
| H28 | C24 | H26 | H27 | 120.0° | 120.0° |
| H34 | C28 | H33 | H35 | 120.0° | 119.9° |
| H34 | C28 | C27 | H32 | 58.8° | 60.0° |
| H33 | C28 | C27 | H32 | 178.8° | 60.0° |
| H35 | C28 | C27 | H32 | 61.2° | 180.0° |
| H1 | C3 | C4 | H2 | 0.7° | 0.1° |
| H31 | N6 | C27 | H32 | 169.1° | 145.0° |
| H6 | C11 | H5 | H7 | 120.0° | 120.0° |
| H9 | C14 | C22 | H24 | 166.6° | 53.5° |
| H9 | C14 | C22 | H25 | 45.8° | 174.0° |
| H9 | C14 | N3 | H10 | 159.2° | 179.0° |
| H15 | C19 | H17 | H16 | 120.0° | 119.9° |
| H36 | C30 | C31 | H37 | 0.3° | 0.1° |
| H22 | C21 | H21 | H23 | 120.0° | 120.0° |
| H38 | C33 | C34 | H39 | 0.2° | 0.0° |
