A1I4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C13 | C20 | sing | 1.55Å | 1.53Å | |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | O3 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | N5 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C30 | sing | 1.43Å | 1.43Å | |
| C5 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.53Å | 1.53Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H34 | sing | 1.01Å | 1.00Å | |
| N5 | H33 | sing | 1.01Å | 1.00Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 123.0° | 120.0° |
| C1 | N1 | H4 | 118.5° | 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 | 123.3° | 120.0° |
| N1 | C2 | C3 | 117.5° | 120.0° |
| C2 | N1 | H4 | 118.5° | 120.0° |
| O1 | C2 | C3 | 119.2° | 120.0° |
| C2 | C3 | C4 | 108.8° | 109.5° |
| C2 | C3 | N3 | 112.7° | 109.5° |
| C2 | C3 | H5 | 107.7° | 109.5° |
| C3 | C4 | C5 | 112.9° | 109.5° |
| C4 | C3 | N3 | 111.4° | 109.5° |
| C3 | C4 | H6 | 108.6° | 109.4° |
| C3 | C4 | H7 | 108.6° | 109.4° |
| C4 | C3 | H5 | 107.6° | 109.5° |
| C4 | C5 | C6 | 121.3° | 120.8° |
| C4 | C5 | C9 | 121.7° | 120.9° |
| C5 | C4 | H6 | 108.6° | 109.4° |
| C5 | C4 | H7 | 108.6° | 109.5° |
| C5 | C6 | C7 | 119.2° | 119.2° |
| C6 | C5 | C9 | 117.0° | 118.3° |
| C5 | C6 | H8 | 120.4° | 120.4° |
| C6 | C7 | N2 | 123.7° | 120.8° |
| C7 | C6 | H8 | 120.4° | 120.4° |
| C6 | C7 | H9 | 118.1° | 119.7° |
| C7 | N2 | C8 | 117.0° | 121.7° |
| N2 | C7 | H9 | 118.1° | 119.6° |
| N2 | C8 | C9 | 123.4° | 120.8° |
| N2 | C8 | H10 | 118.3° | 119.6° |
| C8 | C9 | C5 | 119.7° | 119.2° |
| C9 | C8 | H10 | 118.3° | 119.6° |
| C8 | C9 | H11 | 120.1° | 120.5° |
| C3 | N3 | C10 | 123.0° | 120.0° |
| C3 | N3 | H12 | 118.5° | 120.0° |
| N3 | C3 | H5 | 108.5° | 109.5° |
| N3 | C10 | O2 | 123.1° | 120.0° |
| N3 | C10 | C11 | 116.0° | 120.0° |
| C10 | N3 | H12 | 118.5° | 120.0° |
| O2 | C10 | C11 | 120.8° | 120.0° |
| C10 | C11 | C12 | 111.4° | 109.9° |
| C10 | C11 | N4 | 113.9° | 109.9° |
| C10 | C11 | H13 | 109.5° | 109.9° |
| C11 | C12 | C13 | 104.3° | 103.0° |
| C12 | C11 | N4 | 102.2° | 107.2° |
| C12 | C11 | H13 | 109.4° | 109.9° |
| C11 | C12 | H15 | 110.7° | 110.7° |
| C11 | C12 | H14 | 110.8° | 110.7° |
| C12 | C13 | C14 | 114.6° | 111.0° |
| C12 | C13 | C20 | 104.2° | 101.5° |
| C12 | C13 | H16 | 107.6° | 111.1° |
| C13 | C12 | H15 | 110.8° | 110.7° |
| C13 | C12 | H14 | 110.7° | 110.7° |
| C13 | C14 | C15 | 111.0° | 109.4° |
| C14 | C13 | C20 | 114.6° | 111.0° |
| C13 | C14 | C19 | 111.9° | 109.5° |
| C14 | C13 | H16 | 107.8° | 110.9° |
| C13 | C14 | H17 | 107.5° | 109.5° |
| C14 | C15 | C16 | 114.0° | 109.5° |
| C15 | C14 | C19 | 111.4° | 109.5° |
| C14 | C15 | H19 | 108.3° | 109.5° |
| C14 | C15 | H18 | 108.3° | 109.5° |
| C15 | C14 | H17 | 107.4° | 109.4° |
| C15 | C16 | C17 | 112.4° | 109.4° |
| C16 | C15 | H19 | 108.3° | 109.5° |
| C16 | C15 | H18 | 108.3° | 109.4° |
| C15 | C16 | H20 | 108.8° | 109.5° |
| C15 | C16 | H21 | 108.7° | 109.5° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C16 | C17 | H22 | 108.6° | 109.5° |
| C16 | C17 | H23 | 108.7° | 109.5° |
| C17 | C16 | H20 | 108.7° | 109.5° |
| C17 | C16 | H21 | 108.7° | 109.5° |
| C17 | C18 | C19 | 112.7° | 109.4° |
| C18 | C17 | H22 | 108.7° | 109.5° |
| C18 | C17 | H23 | 108.7° | 109.4° |
| C17 | C18 | H24 | 108.7° | 109.5° |
| C17 | C18 | H25 | 108.6° | 109.5° |
| C18 | C19 | C14 | 113.6° | 109.5° |
| C19 | C18 | H24 | 108.7° | 109.5° |
| C19 | C18 | H25 | 108.6° | 109.5° |
| C18 | C19 | H27 | 108.4° | 109.5° |
| C18 | C19 | H26 | 108.4° | 109.5° |
| C13 | C20 | N4 | 103.9° | 104.9° |
| C20 | C13 | H16 | 107.6° | 111.0° |
| C13 | C20 | H28 | 110.8° | 110.4° |
| C13 | C20 | H29 | 110.8° | 110.4° |
| C20 | N4 | C21 | 121.1° | 125.7° |
| C20 | N4 | C11 | 113.5° | 108.7° |
| N4 | C20 | H28 | 110.9° | 110.3° |
| N4 | C20 | H29 | 110.9° | 110.4° |
| N4 | C21 | O3 | 118.4° | 120.0° |
| N4 | C21 | C22 | 120.8° | 120.0° |
| C21 | N4 | C11 | 125.2° | 125.6° |
| O3 | C21 | C22 | 120.7° | 119.9° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C21 | C22 | H30 | 109.3° | 109.5° |
| C21 | C22 | H31 | 109.3° | 109.4° |
| C22 | C23 | N5 | 108.4° | 109.5° |
| C22 | C23 | C24 | 115.2° | 109.4° |
| C23 | C22 | H30 | 109.3° | 109.5° |
| C23 | C22 | H31 | 109.3° | 109.5° |
| C22 | C23 | H32 | 106.4° | 109.5° |
| N5 | C23 | C24 | 112.4° | 109.5° |
| N5 | C23 | H32 | 107.3° | 109.5° |
| C23 | N5 | H34 | 109.5° | 111.0° |
| C23 | N5 | H33 | 109.4° | 111.0° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | C29 | 120.9° | 120.0° |
| C24 | C23 | H32 | 106.7° | 109.5° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C25 | C24 | C29 | 118.5° | 120.0° |
| C24 | C25 | H35 | 119.6° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.2° |
| C25 | C26 | H36 | 120.1° | 119.9° |
| C26 | C25 | H35 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.9° | 120.1° |
| C27 | C26 | H36 | 120.1° | 119.9° |
| C26 | C27 | H37 | 119.5° | 120.0° |
| C27 | C28 | C29 | 119.3° | 119.9° |
| C27 | C28 | H38 | 120.4° | 120.0° |
| C28 | C27 | H37 | 119.6° | 120.0° |
| C28 | C29 | O4 | 123.9° | 120.1° |
| C28 | C29 | C24 | 120.8° | 119.9° |
| C29 | C28 | H38 | 120.3° | 120.0° |
| C29 | O4 | C30 | 119.2° | 117.0° |
| O4 | C29 | C24 | 115.3° | 120.1° |
| O4 | C30 | H41 | 109.5° | 109.5° |
| O4 | C30 | H39 | 109.5° | 109.5° |
| O4 | C30 | H40 | 109.5° | 109.5° |
| C5 | C9 | H11 | 120.2° | 120.3° |
| N4 | C11 | H13 | 110.3° | 110.0° |
| C19 | C14 | H17 | 107.4° | 109.5° |
| C14 | C19 | H27 | 108.4° | 109.4° |
| C14 | C19 | H26 | 108.4° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 110.4° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H15 | C12 | H14 | 109.5° | 110.8° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H27 | C19 | H26 | 109.5° | 109.5° |
| H34 | N5 | H33 | 109.5° | 111.0° |
| H41 | C30 | H39 | 109.5° | 109.5° |
| H41 | C30 | H40 | 109.4° | 109.4° |
| H39 | C30 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 179.7° |
| C1 | N1 | C2 | O1 | 131.4° | 0.3° |
| C1 | N1 | C2 | C3 | 51.2° | 179.7° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | O1 | C3 | 177.4° | 180.0° |
| N1 | C2 | C3 | C4 | 102.5° | 60.0° |
| N1 | C2 | C3 | N3 | 21.6° | 180.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | C3 | H5 | 141.2° | 60.0° |
| O1 | C2 | C3 | C4 | 80.0° | 120.0° |
| O1 | C2 | C3 | N3 | 155.9° | 0.0° |
| O1 | C2 | N1 | H4 | 48.6° | 180.0° |
| O1 | C2 | C3 | H5 | 36.3° | 120.0° |
| C2 | C3 | C4 | N3 | 124.9° | 120.0° |
| C2 | C3 | C4 | H5 | 116.4° | 120.0° |
| C2 | C3 | C4 | C5 | 174.3° | 175.0° |
| C2 | C3 | N3 | H5 | 119.1° | 120.0° |
| C2 | C3 | N3 | C10 | 110.4° | 85.0° |
| C3 | C2 | N1 | H4 | 128.8° | 0.0° |
| C2 | C3 | N3 | H12 | 69.5° | 95.0° |
| C2 | C3 | C4 | H6 | 65.1° | 55.0° |
| C2 | C3 | C4 | H7 | 53.8° | 65.0° |
| C3 | C4 | C5 | H6 | 120.5° | 119.9° |
| C3 | C4 | C5 | H7 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 138.3° | 90.0° |
| C4 | C3 | N3 | H5 | 118.2° | 120.0° |
| C4 | C3 | N3 | C10 | 126.9° | 155.0° |
| C3 | C4 | C5 | C9 | 42.3° | 90.2° |
| C4 | C3 | N3 | H12 | 53.1° | 25.0° |
| C3 | C4 | H6 | H7 | 118.5° | 120.0° |
| C4 | C5 | C6 | C9 | 179.4° | 179.7° |
| C4 | C5 | C6 | C7 | 178.6° | 180.0° |
| C4 | C5 | C9 | C8 | 179.3° | 179.8° |
| C5 | C4 | C3 | N3 | 60.8° | 65.0° |
| C5 | C4 | H6 | H7 | 118.5° | 120.1° |
| C4 | C5 | C6 | H8 | 1.4° | 0.1° |
| C5 | C4 | C3 | H5 | 58.0° | 55.0° |
| C4 | C5 | C9 | H11 | 0.8° | 0.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | N2 | 0.9° | 0.0° |
| C6 | C5 | C9 | C8 | 0.1° | 0.5° |
| C6 | C5 | C4 | H6 | 17.8° | 150.0° |
| C6 | C5 | C4 | H7 | 101.2° | 30.0° |
| C5 | C6 | C7 | H9 | 179.1° | 180.0° |
| C6 | C5 | C9 | H11 | 179.9° | 179.7° |
| C6 | C7 | N2 | H9 | 180.0° | 180.0° |
| C6 | C7 | N2 | C8 | 0.3° | 0.0° |
| C7 | C6 | C5 | C9 | 0.8° | 0.3° |
| C7 | N2 | C8 | C9 | 0.4° | 0.2° |
| N2 | C7 | C6 | H8 | 179.1° | 179.9° |
| C7 | N2 | C8 | H10 | 179.6° | 179.8° |
| N2 | C8 | C9 | H10 | 180.0° | 179.6° |
| N2 | C8 | C9 | C5 | 0.5° | 0.5° |
| C8 | N2 | C7 | H9 | 179.7° | 180.0° |
| N2 | C8 | C9 | H11 | 179.5° | 179.7° |
| C8 | C9 | C5 | H11 | 180.0° | 179.8° |
| C3 | N3 | C10 | H12 | 180.0° | 180.0° |
| C3 | N3 | C10 | O2 | 6.1° | 0.1° |
| C3 | N3 | C10 | C11 | 171.0° | 180.0° |
| N3 | C3 | C4 | H6 | 59.7° | 175.0° |
| N3 | C3 | C4 | H7 | 178.7° | 55.0° |
| N3 | C10 | O2 | C11 | 176.9° | 180.0° |
| N3 | C10 | C11 | C12 | 98.2° | 80.0° |
| N3 | C10 | C11 | N4 | 16.7° | 162.2° |
| C10 | N3 | C3 | H5 | 8.7° | 35.0° |
| N3 | C10 | C11 | H13 | 140.7° | 41.1° |
| O2 | C10 | C11 | C12 | 78.9° | 100.0° |
| O2 | C10 | C11 | N4 | 166.2° | 17.8° |
| O2 | C10 | N3 | H12 | 173.9° | 180.0° |
| O2 | C10 | C11 | H13 | 42.1° | 139.0° |
| C10 | C11 | C12 | N4 | 121.9° | 119.4° |
| C10 | C11 | C12 | H13 | 121.1° | 121.1° |
| C10 | C11 | C12 | C13 | 90.5° | 97.2° |
| C10 | C11 | N4 | C20 | 102.6° | 120.5° |
| C10 | C11 | N4 | C21 | 81.7° | 59.6° |
| C10 | C11 | N4 | H13 | 123.6° | 121.1° |
| C11 | C10 | N3 | H12 | 9.0° | 0.0° |
| C10 | C11 | C12 | H15 | 28.6° | 144.4° |
| C10 | C11 | C12 | H14 | 150.3° | 21.2° |
| C11 | C12 | C13 | H15 | 119.2° | 118.4° |
| C11 | C12 | C13 | H14 | 119.2° | 118.4° |
| C11 | C12 | C13 | C14 | 160.4° | 153.6° |
| C11 | C12 | C13 | C20 | 34.4° | 35.5° |
| C12 | C11 | N4 | C20 | 17.6° | 1.1° |
| C12 | C11 | N4 | C21 | 158.1° | 179.0° |
| C12 | C11 | N4 | H13 | 116.2° | 119.5° |
| C11 | C12 | C13 | H16 | 79.7° | 82.6° |
| C11 | C12 | H15 | H14 | 122.4° | 123.2° |
| C12 | C13 | C14 | C20 | 120.4° | 112.1° |
| C12 | C13 | C14 | H16 | 119.7° | 124.0° |
| C12 | C13 | C14 | C15 | 54.1° | 66.4° |
| C12 | C13 | C20 | H16 | 114.0° | 118.1° |
| C12 | C13 | C20 | N4 | 23.3° | 37.0° |
| C13 | C12 | C11 | N4 | 31.4° | 22.2° |
| C12 | C13 | C14 | C19 | 179.3° | 173.6° |
| C12 | C13 | C20 | H28 | 142.4° | 155.9° |
| C12 | C13 | C20 | H29 | 95.8° | 81.9° |
| C13 | C12 | C11 | H13 | 148.3° | 141.8° |
| C13 | C12 | H15 | H14 | 122.4° | 123.2° |
| C12 | C13 | C14 | H17 | 63.1° | 53.6° |
| C13 | C14 | C15 | C19 | 125.4° | 120.0° |
| C13 | C14 | C15 | H17 | 117.3° | 120.0° |
| C13 | C14 | C15 | C16 | 159.7° | 180.0° |
| C13 | C14 | C19 | C18 | 177.3° | 180.0° |
| C14 | C13 | C20 | H16 | 120.0° | 123.8° |
| C14 | C13 | C20 | N4 | 149.3° | 155.1° |
| C13 | C14 | C19 | H17 | 117.7° | 120.1° |
| C13 | C14 | C15 | H19 | 39.0° | 60.0° |
| C13 | C14 | C15 | H18 | 79.7° | 60.0° |
| C14 | C13 | C20 | H28 | 91.6° | 86.1° |
| C14 | C13 | C20 | H29 | 30.2° | 36.2° |
| C14 | C13 | C12 | H15 | 80.4° | 35.1° |
| C14 | C13 | C12 | H14 | 41.2° | 88.1° |
| C13 | C14 | C19 | H27 | 62.1° | 60.0° |
| C13 | C14 | C19 | H26 | 56.7° | 60.0° |
| C14 | C15 | C16 | H19 | 120.7° | 120.0° |
| C14 | C15 | C16 | H18 | 120.7° | 120.0° |
| C14 | C15 | C16 | C17 | 21.7° | 60.0° |
| C15 | C14 | C19 | C18 | 57.9° | 60.0° |
| C15 | C14 | C13 | C20 | 174.6° | 178.5° |
| C15 | C14 | C19 | H17 | 117.4° | 120.0° |
| C15 | C14 | C13 | H16 | 65.6° | 57.6° |
| C14 | C15 | H19 | H18 | 117.9° | 120.0° |
| C14 | C15 | C16 | H20 | 98.7° | 180.0° |
| C14 | C15 | C16 | H21 | 142.1° | 60.0° |
| C15 | C14 | C19 | H27 | 62.7° | 180.0° |
| C15 | C14 | C19 | H26 | 178.5° | 60.0° |
| C15 | C16 | C17 | H20 | 120.4° | 120.0° |
| C15 | C16 | C17 | H21 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 59.1° | 60.0° |
| C16 | C15 | C14 | C19 | 34.3° | 60.0° |
| C16 | C15 | H19 | H18 | 117.9° | 120.0° |
| C15 | C16 | C17 | H22 | 179.6° | 60.0° |
| C15 | C16 | C17 | H23 | 61.3° | 180.0° |
| C16 | C15 | C14 | H17 | 83.1° | 60.0° |
| C15 | C16 | H20 | H21 | 118.7° | 120.1° |
| C16 | C17 | C18 | H22 | 120.5° | 120.0° |
| C16 | C17 | C18 | H23 | 120.5° | 120.0° |
| C16 | C17 | C18 | C19 | 35.8° | 60.0° |
| C17 | C16 | C15 | H19 | 142.4° | 60.0° |
| C17 | C16 | C15 | H18 | 99.0° | 180.0° |
| C16 | C17 | H22 | H23 | 118.5° | 120.0° |
| C17 | C16 | H20 | H21 | 118.7° | 120.0° |
| C16 | C17 | C18 | H24 | 84.7° | 180.0° |
| C16 | C17 | C18 | H25 | 156.3° | 60.0° |
| C17 | C18 | C19 | H24 | 120.5° | 120.0° |
| C17 | C18 | C19 | H25 | 120.5° | 120.0° |
| C17 | C18 | C19 | C14 | 21.4° | 60.0° |
| C18 | C17 | H22 | H23 | 118.5° | 120.0° |
| C18 | C17 | C16 | H20 | 61.3° | 180.0° |
| C18 | C17 | C16 | H21 | 179.6° | 60.0° |
| C17 | C18 | H24 | H25 | 118.5° | 120.0° |
| C17 | C18 | C19 | H27 | 99.2° | 180.0° |
| C17 | C18 | C19 | H26 | 142.0° | 60.0° |
| C18 | C19 | C14 | H27 | 120.6° | 120.0° |
| C18 | C19 | C14 | H26 | 120.6° | 120.0° |
| C19 | C18 | C17 | H22 | 156.3° | 60.0° |
| C19 | C18 | C17 | H23 | 84.7° | 180.0° |
| C18 | C19 | C14 | H17 | 59.5° | 59.9° |
| C19 | C18 | H24 | H25 | 118.5° | 120.0° |
| C18 | C19 | H27 | H26 | 118.1° | 120.0° |
| C13 | C20 | N4 | H28 | 119.1° | 118.8° |
| C13 | C20 | N4 | H29 | 119.1° | 118.9° |
| C13 | C20 | N4 | C21 | 179.5° | 155.9° |
| C13 | C20 | N4 | C11 | 3.5° | 24.2° |
| C20 | C13 | C14 | C19 | 60.3° | 61.5° |
| C13 | C20 | H28 | H29 | 122.6° | 122.3° |
| C20 | C13 | C12 | H15 | 153.5° | 82.9° |
| C20 | C13 | C12 | H14 | 84.8° | 153.9° |
| C20 | C13 | C14 | H17 | 57.3° | 58.6° |
| C20 | N4 | C21 | C11 | 175.5° | 180.0° |
| C20 | N4 | C21 | O3 | 4.4° | 180.0° |
| C20 | N4 | C21 | C22 | 176.1° | 0.0° |
| N4 | C20 | C13 | H16 | 90.7° | 81.1° |
| N4 | C20 | H28 | H29 | 122.6° | 122.3° |
| C20 | N4 | C11 | H13 | 133.9° | 118.4° |
| N4 | C21 | O3 | C22 | 179.5° | 180.0° |
| N4 | C21 | C22 | C23 | 168.3° | 180.0° |
| C21 | N4 | C20 | H28 | 61.4° | 37.0° |
| C21 | N4 | C20 | H29 | 60.4° | 85.2° |
| N4 | C21 | C22 | H30 | 48.2° | 60.0° |
| N4 | C21 | C22 | H31 | 71.7° | 59.9° |
| C21 | N4 | C11 | H13 | 41.9° | 61.6° |
| O3 | C21 | C22 | C23 | 11.2° | 0.0° |
| O3 | C21 | N4 | C11 | 171.1° | 0.0° |
| O3 | C21 | C22 | H30 | 131.3° | 120.0° |
| O3 | C21 | C22 | H31 | 108.9° | 120.0° |
| C21 | C22 | C23 | H30 | 120.1° | 120.0° |
| C21 | C22 | C23 | H31 | 120.1° | 120.0° |
| C21 | C22 | C23 | N5 | 66.7° | 65.0° |
| C21 | C22 | C23 | C24 | 166.4° | 175.0° |
| C22 | C21 | N4 | C11 | 8.4° | 180.0° |
| C21 | C22 | H30 | H31 | 119.7° | 119.9° |
| C21 | C22 | C23 | H32 | 48.4° | 55.0° |
| C22 | C23 | N5 | C24 | 128.5° | 119.9° |
| C22 | C23 | N5 | H32 | 114.5° | 120.0° |
| C22 | C23 | C24 | H32 | 117.8° | 120.0° |
| C22 | C23 | C24 | C25 | 11.2° | 100.0° |
| C22 | C23 | C24 | C29 | 170.2° | 80.3° |
| C23 | C22 | H30 | H31 | 119.7° | 120.1° |
| C22 | C23 | N5 | H34 | 180.0° | 60.0° |
| C22 | C23 | N5 | H33 | 60.0° | 64.0° |
| N5 | C23 | C24 | H32 | 117.3° | 120.1° |
| N5 | C23 | C24 | C25 | 113.7° | 19.9° |
| N5 | C23 | C24 | C29 | 65.0° | 159.7° |
| N5 | C23 | C22 | H30 | 173.3° | 175.0° |
| N5 | C23 | C22 | H31 | 53.4° | 55.0° |
| C23 | N5 | H34 | H33 | 120.0° | 123.9° |
| C23 | C24 | C25 | C29 | 178.7° | 179.7° |
| C23 | C24 | C25 | C26 | 179.8° | 179.7° |
| C23 | C24 | C29 | C28 | 179.2° | 179.7° |
| C23 | C24 | C29 | O4 | 0.2° | 0.3° |
| C24 | C23 | C22 | H30 | 46.3° | 55.0° |
| C24 | C23 | C22 | H31 | 73.5° | 65.0° |
| C24 | C23 | N5 | H34 | 51.5° | 60.0° |
| C24 | C23 | N5 | H33 | 68.5° | 176.1° |
| C23 | C24 | C25 | H35 | 0.2° | 0.4° |
| C24 | C25 | C26 | H35 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.7° | 0.0° |
| C25 | C24 | C29 | C28 | 0.5° | 0.0° |
| C25 | C24 | C29 | O4 | 178.9° | 179.9° |
| C24 | C25 | C26 | H36 | 179.4° | 180.0° |
| C25 | C24 | C23 | H32 | 129.0° | 140.0° |
| C25 | C26 | C27 | H36 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C24 | C29 | 1.1° | 0.0° |
| C25 | C26 | C27 | H37 | 179.6° | 180.0° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.0° | 0.0° |
| C26 | C27 | C28 | H38 | 179.0° | 180.0° |
| C27 | C26 | C25 | H35 | 179.3° | 180.0° |
| C27 | C28 | C29 | H38 | 180.0° | 180.0° |
| C27 | C28 | C29 | O4 | 179.8° | 180.0° |
| C27 | C28 | C29 | C24 | 0.5° | 0.0° |
| C28 | C27 | C26 | H36 | 179.6° | 180.0° |
| C28 | C29 | O4 | C24 | 179.3° | 180.0° |
| C28 | C29 | O4 | C30 | 29.2° | 0.1° |
| C29 | C28 | C27 | H37 | 179.0° | 179.9° |
| O4 | C29 | C28 | H38 | 0.1° | 0.0° |
| C29 | O4 | C30 | H41 | 180.0° | 60.0° |
| C29 | O4 | C30 | H39 | 60.0° | 60.0° |
| C29 | O4 | C30 | H40 | 60.0° | 180.0° |
| C30 | O4 | C29 | C24 | 151.5° | 180.0° |
| O4 | C30 | H41 | H39 | 120.0° | 120.0° |
| O4 | C30 | H41 | H40 | 120.0° | 120.0° |
| O4 | C30 | H39 | H40 | 120.0° | 120.1° |
| C9 | C5 | C4 | H6 | 162.8° | 29.7° |
| C9 | C5 | C4 | H7 | 78.2° | 149.8° |
| C9 | C5 | C6 | H8 | 179.2° | 179.8° |
| C5 | C9 | C8 | H10 | 179.5° | 180.0° |
| C11 | N4 | C20 | H28 | 122.6° | 143.0° |
| C11 | N4 | C20 | H29 | 115.6° | 94.7° |
| N4 | C11 | C12 | H15 | 150.6° | 96.2° |
| N4 | C11 | C12 | H14 | 87.8° | 140.6° |
| C24 | C29 | C28 | H38 | 179.4° | 180.0° |
| C29 | C24 | C23 | H32 | 52.3° | 39.7° |
| C29 | C24 | C25 | H35 | 178.9° | 180.0° |
| C19 | C14 | C13 | H16 | 59.5° | 62.4° |
| C19 | C14 | C15 | H19 | 86.4° | 60.0° |
| C19 | C14 | C15 | H18 | 154.9° | 180.0° |
| C14 | C19 | C18 | H24 | 141.9° | 180.0° |
| C14 | C19 | C18 | H25 | 99.1° | 60.0° |
| C14 | C19 | H27 | H26 | 118.1° | 120.0° |
| H4 | N1 | C1 | H1 | 0.0° | 0.2° |
| H4 | N1 | C1 | H2 | 120.1° | 119.7° |
| H4 | N1 | C1 | H3 | 120.0° | 120.3° |
| H12 | N3 | C3 | H5 | 171.3° | 145.0° |
| H6 | C4 | C3 | H5 | 178.5° | 65.0° |
| H7 | C4 | C3 | H5 | 62.6° | 175.0° |
| H8 | C6 | C7 | H9 | 0.9° | 0.0° |
| H10 | C8 | C9 | H11 | 0.4° | 0.2° |
| H16 | C13 | C20 | H28 | 28.4° | 37.8° |
| H16 | C13 | C20 | H29 | 150.2° | 160.0° |
| H16 | C13 | C12 | H15 | 39.5° | 159.0° |
| H16 | C13 | C12 | H14 | 161.1° | 35.8° |
| H16 | C13 | C14 | H17 | 177.2° | 177.5° |
| H19 | C15 | C14 | H17 | 156.3° | 180.0° |
| H19 | C15 | C16 | H20 | 21.9° | 60.0° |
| H19 | C15 | C16 | H21 | 97.2° | 180.0° |
| H18 | C15 | C14 | H17 | 37.6° | 60.0° |
| H18 | C15 | C16 | H20 | 140.6° | 60.0° |
| H18 | C15 | C16 | H21 | 21.5° | 60.0° |
| H22 | C17 | C16 | H20 | 59.2° | 60.0° |
| H22 | C17 | C16 | H21 | 59.9° | 180.0° |
| H22 | C17 | C18 | H24 | 35.8° | 60.0° |
| H22 | C17 | C18 | H25 | 83.3° | 180.0° |
| H23 | C17 | C16 | H20 | 178.2° | 60.0° |
| H23 | C17 | C16 | H21 | 59.1° | 60.0° |
| H23 | C17 | C18 | H24 | 154.8° | 60.0° |
| H23 | C17 | C18 | H25 | 35.8° | 60.0° |
| H30 | C22 | C23 | H32 | 71.7° | 65.0° |
| H31 | C22 | C23 | H32 | 168.5° | 175.0° |
| H36 | C26 | C25 | H35 | 0.7° | 0.1° |
| H36 | C26 | C27 | H37 | 0.4° | 0.1° |
| H38 | C28 | C27 | H37 | 1.0° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H13 | C11 | C12 | H15 | 92.5° | 23.4° |
| H13 | C11 | C12 | H14 | 29.2° | 99.9° |
| H17 | C14 | C19 | H27 | 179.9° | 60.1° |
| H17 | C14 | C19 | H26 | 61.1° | 180.0° |
| H24 | C18 | C19 | H27 | 21.3° | 60.0° |
| H24 | C18 | C19 | H26 | 97.5° | 60.0° |
| H25 | C18 | C19 | H27 | 140.3° | 60.0° |
| H25 | C18 | C19 | H26 | 21.5° | 180.0° |
| H32 | C23 | N5 | H34 | 65.5° | 179.9° |
| H32 | C23 | N5 | H33 | 174.5° | 56.0° |
| H41 | C30 | H39 | H40 | 120.0° | 119.9° |
