A1I4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | C3 | sing | 1.48Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C13 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.34Å | Aromatic |
| C14 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| N4 | C15 | doub | 1.30Å | 1.31Å | Aromatic |
| C12 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | N5 | sing | 1.35Å | 1.36Å | Aromatic |
| N5 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C24 | sing | 1.43Å | 1.43Å | |
| C23 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.37Å | Aromatic |
| N6 | C27 | doub | 1.31Å | 1.33Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C16 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| C17 | C27 | sing | 1.41Å | 1.44Å | Aromatic |
| C20 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 1.01Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 123.5° | 120.0° |
| C1 | N1 | H4 | 118.3° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C2 | O1 | 122.9° | 120.0° |
| N1 | C2 | C3 | 117.0° | 120.0° |
| C2 | N1 | H4 | 118.3° | 120.0° |
| O1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C3 | C4 | 122.4° | 120.1° |
| C2 | C3 | C31 | 118.4° | 120.2° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C4 | C3 | C31 | 119.1° | 119.7° |
| C3 | C4 | H5 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C4 | H5 | 119.7° | 120.1° |
| C4 | C5 | H6 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.3° | 119.9° |
| C5 | C6 | C30 | 118.9° | 120.3° |
| C6 | C5 | H6 | 119.9° | 119.9° |
| C6 | C7 | N2 | 112.3° | 109.5° |
| C7 | C6 | C30 | 120.7° | 119.8° |
| C6 | C7 | H7 | 108.7° | 109.5° |
| C6 | C7 | H8 | 108.7° | 109.5° |
| C7 | N2 | C8 | 112.3° | 111.0° |
| N2 | C7 | H7 | 108.8° | 109.5° |
| N2 | C7 | H8 | 108.7° | 109.5° |
| C7 | N2 | H9 | 108.7° | 111.0° |
| N2 | C8 | C9 | 111.3° | 109.5° |
| N2 | C8 | H10 | 109.0° | 109.4° |
| N2 | C8 | H11 | 109.0° | 109.4° |
| C8 | N2 | H9 | 108.8° | 111.0° |
| C8 | C9 | C10 | 120.9° | 119.9° |
| C8 | C9 | C29 | 118.8° | 119.9° |
| C9 | C8 | H10 | 109.0° | 109.5° |
| C9 | C8 | H11 | 109.0° | 109.5° |
| C9 | C10 | C11 | 120.1° | 120.3° |
| C10 | C9 | C29 | 120.2° | 120.2° |
| C9 | C10 | H12 | 119.9° | 119.8° |
| C10 | C11 | C12 | 118.8° | 120.0° |
| C11 | C10 | H12 | 119.9° | 119.8° |
| C10 | C11 | H13 | 120.6° | 120.0° |
| C11 | C12 | N3 | 116.9° | 120.1° |
| C11 | C12 | C16 | 122.6° | 119.7° |
| C12 | C11 | H13 | 120.6° | 120.0° |
| C12 | N3 | C13 | 125.2° | 126.5° |
| N3 | C12 | C16 | 120.5° | 120.2° |
| C12 | N3 | C15 | 127.3° | 126.5° |
| N3 | C13 | C14 | 105.7° | 106.8° |
| C13 | N3 | C15 | 107.5° | 107.0° |
| N3 | C13 | H14 | 127.2° | 126.6° |
| C13 | C14 | N4 | 110.8° | 108.2° |
| C14 | C13 | H14 | 127.1° | 126.6° |
| C13 | C14 | H15 | 124.6° | 126.0° |
| C14 | N4 | C15 | 104.4° | 109.3° |
| N4 | C14 | H15 | 124.6° | 125.9° |
| N4 | C15 | N3 | 111.6° | 108.6° |
| N4 | C15 | H16 | 124.2° | 125.7° |
| C12 | C16 | C17 | 124.1° | 120.1° |
| C12 | C16 | C29 | 117.2° | 119.7° |
| C16 | C17 | C18 | 125.7° | 126.2° |
| C17 | C16 | C29 | 118.6° | 120.1° |
| C16 | C17 | C27 | 128.9° | 126.3° |
| C17 | C18 | N5 | 106.6° | 107.6° |
| C18 | C17 | C27 | 105.2° | 107.5° |
| C17 | C18 | H17 | 126.7° | 126.2° |
| C18 | N5 | C19 | 129.5° | 125.9° |
| C18 | N5 | N6 | 112.5° | 108.2° |
| N5 | C18 | H17 | 126.7° | 126.2° |
| N5 | C19 | C20 | 114.7° | 109.5° |
| C19 | N5 | N6 | 118.0° | 125.9° |
| N5 | C19 | H18 | 108.2° | 109.4° |
| N5 | C19 | H19 | 108.2° | 109.4° |
| C19 | C20 | C21 | 120.7° | 119.9° |
| C19 | C20 | C26 | 121.2° | 119.9° |
| C20 | C19 | H18 | 108.1° | 109.5° |
| C20 | C19 | H19 | 108.2° | 109.5° |
| C20 | C21 | C22 | 121.5° | 120.0° |
| C21 | C20 | C26 | 118.1° | 120.1° |
| C20 | C21 | H20 | 119.2° | 120.0° |
| C21 | C22 | C23 | 119.3° | 119.9° |
| C22 | C21 | H20 | 119.3° | 120.0° |
| C21 | C22 | H21 | 120.4° | 120.0° |
| C22 | C23 | O2 | 118.0° | 120.0° |
| C22 | C23 | C25 | 120.3° | 119.9° |
| C23 | C22 | H21 | 120.4° | 120.1° |
| C23 | O2 | C24 | 118.6° | 117.0° |
| O2 | C23 | C25 | 121.7° | 120.1° |
| O2 | C24 | H24 | 109.5° | 109.5° |
| O2 | C24 | H22 | 109.5° | 109.5° |
| O2 | C24 | H23 | 109.5° | 109.4° |
| C23 | C25 | C26 | 119.6° | 119.9° |
| C23 | C25 | H25 | 120.2° | 120.0° |
| C25 | C26 | C20 | 121.2° | 120.1° |
| C25 | C26 | H26 | 119.4° | 120.0° |
| C26 | C25 | H25 | 120.2° | 120.0° |
| N5 | N6 | C27 | 105.1° | 108.5° |
| N6 | C27 | C28 | 117.0° | 125.9° |
| N6 | C27 | C17 | 110.5° | 108.2° |
| C28 | C27 | C17 | 132.4° | 125.9° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H29 | 109.4° | 109.5° |
| C27 | C28 | H27 | 109.4° | 109.4° |
| C16 | C29 | C9 | 121.0° | 120.0° |
| C16 | C29 | H30 | 119.5° | 120.0° |
| C6 | C30 | C31 | 121.1° | 120.1° |
| C6 | C30 | H31 | 119.4° | 119.9° |
| C30 | C31 | C3 | 120.0° | 119.9° |
| C31 | C30 | H31 | 119.5° | 119.9° |
| C30 | C31 | H32 | 120.0° | 120.1° |
| C3 | C31 | H32 | 120.1° | 120.0° |
| C9 | C29 | H30 | 119.5° | 120.0° |
| N3 | C15 | H16 | 124.2° | 125.7° |
| C20 | C26 | H26 | 119.4° | 119.9° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H24 | C24 | H22 | 109.5° | 109.5° |
| H24 | C24 | H23 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H27 | 109.5° | 109.4° |
| H29 | C28 | H27 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 179.8° |
| C1 | N1 | C2 | O1 | 2.7° | 0.2° |
| C1 | N1 | C2 | C3 | 175.9° | 179.8° |
| N1 | C1 | H1 | H2 | 120.0° | 119.9° |
| N1 | C1 | H1 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | O1 | C3 | 178.6° | 180.0° |
| N1 | C2 | C3 | C4 | 28.6° | 180.0° |
| N1 | C2 | C3 | C31 | 152.2° | 0.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.1° |
| C2 | N1 | C1 | H3 | 60.0° | 59.9° |
| O1 | C2 | C3 | C4 | 152.7° | 0.0° |
| O1 | C2 | C3 | C31 | 26.4° | 180.0° |
| O1 | C2 | N1 | H4 | 177.3° | 180.0° |
| C2 | C3 | C4 | C31 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 178.9° | 179.9° |
| C2 | C3 | C31 | C30 | 179.4° | 179.4° |
| C3 | C2 | N1 | H4 | 4.1° | 0.1° |
| C2 | C3 | C4 | H5 | 1.1° | 0.3° |
| C2 | C3 | C31 | H32 | 0.6° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.9° | 0.2° |
| C4 | C3 | C31 | C30 | 1.4° | 0.6° |
| C3 | C4 | C5 | H6 | 179.1° | 179.7° |
| C4 | C3 | C31 | H32 | 178.6° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C4 | C5 | C6 | C30 | 0.7° | 0.0° |
| C5 | C4 | C3 | C31 | 2.0° | 0.0° |
| C5 | C6 | C7 | C30 | 178.1° | 180.0° |
| C5 | C6 | C7 | N2 | 128.8° | 90.0° |
| C5 | C6 | C30 | C31 | 1.2° | 0.5° |
| C6 | C5 | C4 | H5 | 179.1° | 180.0° |
| C5 | C6 | C7 | H7 | 8.3° | 150.0° |
| C5 | C6 | C7 | H8 | 110.8° | 30.0° |
| C5 | C6 | C30 | H31 | 178.8° | 180.0° |
| C6 | C7 | N2 | H7 | 120.4° | 120.0° |
| C6 | C7 | N2 | H8 | 120.4° | 120.0° |
| C6 | C7 | N2 | C8 | 91.3° | 180.0° |
| C7 | C6 | C30 | C31 | 179.3° | 179.4° |
| C7 | C6 | C5 | H6 | 1.2° | 0.0° |
| C6 | C7 | H7 | H8 | 118.7° | 120.0° |
| C6 | C7 | N2 | H9 | 148.2° | 56.0° |
| C7 | C6 | C30 | H31 | 0.7° | 0.0° |
| C7 | N2 | C8 | H9 | 120.4° | 124.0° |
| C7 | N2 | C8 | C9 | 60.1° | 180.0° |
| N2 | C7 | C6 | C30 | 49.3° | 90.0° |
| N2 | C7 | H7 | H8 | 118.7° | 120.0° |
| C7 | N2 | C8 | H10 | 60.1° | 60.0° |
| C7 | N2 | C8 | H11 | 179.6° | 60.0° |
| N2 | C8 | C9 | H10 | 120.3° | 120.0° |
| N2 | C8 | C9 | H11 | 120.3° | 119.9° |
| N2 | C8 | C9 | C10 | 112.1° | 90.0° |
| N2 | C8 | C9 | C29 | 64.6° | 90.1° |
| C8 | N2 | C7 | H7 | 29.1° | 60.0° |
| C8 | N2 | C7 | H8 | 148.2° | 60.0° |
| N2 | C8 | H10 | H11 | 119.2° | 119.9° |
| C8 | C9 | C10 | C29 | 176.6° | 179.9° |
| C8 | C9 | C10 | C11 | 177.4° | 180.0° |
| C8 | C9 | C29 | C16 | 177.7° | 179.5° |
| C9 | C8 | H10 | H11 | 119.2° | 120.1° |
| C8 | C9 | C10 | H12 | 2.6° | 0.3° |
| C9 | C8 | N2 | H9 | 179.5° | 56.0° |
| C8 | C9 | C29 | H30 | 2.3° | 0.1° |
| C9 | C10 | C11 | H12 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.9° | 0.2° |
| C10 | C9 | C29 | C16 | 1.0° | 0.5° |
| C10 | C9 | C8 | H10 | 8.2° | 30.0° |
| C10 | C9 | C8 | H11 | 127.6° | 150.0° |
| C9 | C10 | C11 | H13 | 179.1° | 179.8° |
| C10 | C9 | C29 | H30 | 179.0° | 180.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | N3 | 179.3° | 180.0° |
| C10 | C11 | C12 | C16 | 1.2° | 0.1° |
| C11 | C10 | C9 | C29 | 0.8° | 0.0° |
| C11 | C12 | N3 | C16 | 179.6° | 180.0° |
| C11 | C12 | N3 | C13 | 55.4° | 55.7° |
| C11 | C12 | C16 | C17 | 178.4° | 180.0° |
| C11 | C12 | C16 | C29 | 1.4° | 0.6° |
| C11 | C12 | N3 | C15 | 123.2° | 123.9° |
| C12 | C11 | C10 | H12 | 179.1° | 180.0° |
| C12 | N3 | C13 | C15 | 178.9° | 179.7° |
| C12 | N3 | C13 | C14 | 179.2° | 179.8° |
| C12 | N3 | C15 | N4 | 179.2° | 179.7° |
| N3 | C12 | C16 | C17 | 2.1° | 0.1° |
| N3 | C12 | C16 | C29 | 179.1° | 179.5° |
| C12 | N3 | C13 | H14 | 0.8° | 0.4° |
| C12 | N3 | C15 | H16 | 0.8° | 0.3° |
| N3 | C12 | C11 | H13 | 0.7° | 0.1° |
| N3 | C13 | C14 | H14 | 180.0° | 179.9° |
| N3 | C13 | C14 | N4 | 0.3° | 0.1° |
| C13 | N3 | C15 | N4 | 0.3° | 0.0° |
| C13 | N3 | C12 | C16 | 125.0° | 124.3° |
| C13 | N3 | C15 | H16 | 179.7° | 180.0° |
| N3 | C13 | C14 | H15 | 179.7° | 180.0° |
| C13 | C14 | N4 | H15 | 180.0° | 179.9° |
| C13 | C14 | N4 | C15 | 0.1° | 0.1° |
| C14 | C13 | N3 | C15 | 0.4° | 0.1° |
| C14 | N4 | C15 | N3 | 0.1° | 0.1° |
| N4 | C14 | C13 | H14 | 179.7° | 180.0° |
| C14 | N4 | C15 | H16 | 179.8° | 180.0° |
| N4 | C15 | N3 | H16 | 180.0° | 180.0° |
| C15 | N4 | C14 | H15 | 179.9° | 180.0° |
| C12 | C16 | C17 | C29 | 177.0° | 179.4° |
| C12 | C16 | C17 | C18 | 33.3° | 114.1° |
| C12 | C16 | C29 | C9 | 1.2° | 0.8° |
| C16 | C12 | N3 | C15 | 56.3° | 56.1° |
| C12 | C16 | C17 | C27 | 151.7° | 66.2° |
| C16 | C12 | C11 | H13 | 178.8° | 179.9° |
| C12 | C16 | C29 | H30 | 178.7° | 179.7° |
| C16 | C17 | C18 | C27 | 176.0° | 179.7° |
| C16 | C17 | C18 | N5 | 178.2° | 179.8° |
| C16 | C17 | C27 | N6 | 178.0° | 179.7° |
| C16 | C17 | C27 | C28 | 2.5° | 0.2° |
| C17 | C16 | C29 | C9 | 178.4° | 179.8° |
| C16 | C17 | C18 | H17 | 1.8° | 0.3° |
| C17 | C16 | C29 | H30 | 1.5° | 0.3° |
| C17 | C18 | N5 | H17 | 180.0° | 179.9° |
| C17 | C18 | N5 | C19 | 179.4° | 180.0° |
| C17 | C18 | N5 | N6 | 1.6° | 0.0° |
| C18 | C17 | C27 | N6 | 2.2° | 0.0° |
| C18 | C17 | C27 | C28 | 178.4° | 179.9° |
| C18 | C17 | C16 | C29 | 143.7° | 66.5° |
| C18 | N5 | C19 | N6 | 177.8° | 180.0° |
| C18 | N5 | C19 | C20 | 12.2° | 125.0° |
| C18 | N5 | N6 | C27 | 0.2° | 0.0° |
| N5 | C18 | C17 | C27 | 2.2° | 0.0° |
| C18 | N5 | C19 | H18 | 132.9° | 5.0° |
| C18 | N5 | C19 | H19 | 108.6° | 115.1° |
| N5 | C19 | C20 | H18 | 120.8° | 120.0° |
| N5 | C19 | C20 | H19 | 120.8° | 119.9° |
| N5 | C19 | C20 | C21 | 127.1° | 90.0° |
| C19 | N5 | N6 | C27 | 178.3° | 180.0° |
| N5 | C19 | C20 | C26 | 53.6° | 90.2° |
| C19 | N5 | C18 | H17 | 0.5° | 0.1° |
| N5 | C19 | H18 | H19 | 117.6° | 119.9° |
| C19 | C20 | C21 | C26 | 179.3° | 179.8° |
| C19 | C20 | C21 | C22 | 179.8° | 179.7° |
| C19 | C20 | C26 | C25 | 179.7° | 179.7° |
| C20 | C19 | N5 | N6 | 170.1° | 55.0° |
| C19 | C20 | C21 | H20 | 0.2° | 0.2° |
| C19 | C20 | C26 | H26 | 0.3° | 0.2° |
| C20 | C19 | H18 | H19 | 117.6° | 120.1° |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C20 | C26 | C25 | 0.9° | 0.1° |
| C20 | C21 | C22 | H21 | 179.8° | 180.0° |
| C21 | C20 | C26 | H26 | 179.0° | 180.0° |
| C21 | C20 | C19 | H18 | 112.1° | 150.1° |
| C21 | C20 | C19 | H19 | 6.3° | 30.0° |
| C21 | C22 | C23 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | O2 | 179.3° | 180.0° |
| C21 | C22 | C23 | C25 | 0.5° | 0.0° |
| C22 | C21 | C20 | C26 | 0.5° | 0.1° |
| C22 | C23 | O2 | C25 | 178.8° | 179.9° |
| C22 | C23 | O2 | C24 | 156.1° | 180.0° |
| C22 | C23 | C25 | C26 | 0.1° | 0.1° |
| C23 | C22 | C21 | H20 | 179.8° | 180.0° |
| C22 | C23 | C25 | H25 | 179.9° | 179.9° |
| O2 | C23 | C25 | C26 | 178.8° | 180.0° |
| O2 | C23 | C22 | H21 | 0.7° | 0.1° |
| C23 | O2 | C24 | H24 | 180.0° | 60.0° |
| C23 | O2 | C24 | H22 | 60.0° | 60.0° |
| C23 | O2 | C24 | H23 | 60.0° | 180.0° |
| O2 | C23 | C25 | H25 | 1.2° | 0.0° |
| C24 | O2 | C23 | C25 | 25.1° | 0.1° |
| O2 | C24 | H24 | H22 | 120.0° | 120.0° |
| O2 | C24 | H24 | H23 | 120.0° | 119.9° |
| O2 | C24 | H22 | H23 | 120.0° | 119.9° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C20 | 0.7° | 0.1° |
| C25 | C23 | C22 | H21 | 179.5° | 180.0° |
| C23 | C25 | C26 | H26 | 179.3° | 180.0° |
| C25 | C26 | C20 | H26 | 180.0° | 179.9° |
| N5 | N6 | C27 | C28 | 179.2° | 180.0° |
| N5 | N6 | C27 | C17 | 1.3° | 0.0° |
| N6 | N5 | C18 | H17 | 178.4° | 179.9° |
| N6 | N5 | C19 | H18 | 49.3° | 175.0° |
| N6 | N5 | C19 | H19 | 69.1° | 65.0° |
| N6 | C27 | C28 | C17 | 179.4° | 179.9° |
| N6 | C27 | C28 | H28 | 0.0° | 84.9° |
| N6 | C27 | C28 | H29 | 120.0° | 35.1° |
| N6 | C27 | C28 | H27 | 120.0° | 155.2° |
| C27 | C28 | H28 | H29 | 120.0° | 120.1° |
| C27 | C28 | H28 | H27 | 120.0° | 119.9° |
| C27 | C28 | H29 | H27 | 120.0° | 120.0° |
| C16 | C29 | C9 | H30 | 180.0° | 179.5° |
| C29 | C16 | C17 | C27 | 31.3° | 113.2° |
| C6 | C30 | C31 | H31 | 180.0° | 179.5° |
| C6 | C30 | C31 | C3 | 0.2° | 0.8° |
| C30 | C6 | C5 | H6 | 179.3° | 179.9° |
| C30 | C6 | C7 | H7 | 169.7° | 30.0° |
| C30 | C6 | C7 | H8 | 71.1° | 150.0° |
| C6 | C30 | C31 | H32 | 179.9° | 179.7° |
| C30 | C31 | C3 | H32 | 180.0° | 179.5° |
| C31 | C3 | C4 | H5 | 178.1° | 179.7° |
| C3 | C31 | C30 | H31 | 179.8° | 179.7° |
| C29 | C9 | C8 | H10 | 175.1° | 150.0° |
| C29 | C9 | C8 | H11 | 55.7° | 29.9° |
| C29 | C9 | C10 | H12 | 179.2° | 179.8° |
| C15 | N3 | C13 | H14 | 179.7° | 179.9° |
| C17 | C27 | C28 | H28 | 179.4° | 95.1° |
| C17 | C27 | C28 | H29 | 59.4° | 144.8° |
| C17 | C27 | C28 | H27 | 60.6° | 24.8° |
| C27 | C17 | C18 | H17 | 177.8° | 179.9° |
| C26 | C20 | C21 | H20 | 179.5° | 180.0° |
| C26 | C20 | C19 | H18 | 67.2° | 29.7° |
| C26 | C20 | C19 | H19 | 174.4° | 149.8° |
| C20 | C26 | C25 | H25 | 179.3° | 179.9° |
| H4 | N1 | C1 | H1 | 0.0° | 0.1° |
| H4 | N1 | C1 | H2 | 120.0° | 119.8° |
| H4 | N1 | C1 | H3 | 120.0° | 120.2° |
| H5 | C4 | C5 | H6 | 0.9° | 0.1° |
| H7 | C7 | N2 | H9 | 91.4° | 176.1° |
| H8 | C7 | N2 | H9 | 27.8° | 64.0° |
| H10 | C8 | N2 | H9 | 60.3° | 176.0° |
| H11 | C8 | N2 | H9 | 59.2° | 64.0° |
| H12 | C10 | C11 | H13 | 0.9° | 0.1° |
| H14 | C13 | C14 | H15 | 0.3° | 0.1° |
| H20 | C21 | C22 | H21 | 0.2° | 0.1° |
| H24 | C24 | H22 | H23 | 120.0° | 120.1° |
| H26 | C26 | C25 | H25 | 0.7° | 0.0° |
| H28 | C28 | H29 | H27 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H31 | C30 | C31 | H32 | 0.1° | 0.2° |
