A1JLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.51Å | 1.49Å | |
| C23 | N7 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.33Å | 1.32Å | |
| C21 | C20 | sing | 1.48Å | 1.47Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C25 | C26 | sing | 1.54Å | 1.52Å | |
| N6 | C20 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N7 | sing | 1.44Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N7 | C29 | sing | 1.48Å | 1.47Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C30 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.39Å | 1.40Å | |
| C29 | C28 | sing | 1.46Å | 1.52Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| N5 | C12 | sing | 1.49Å | 1.46Å | |
| N5 | C15 | sing | 1.49Å | 1.46Å | |
| C12 | C11 | sing | 1.54Å | 1.52Å | |
| C27 | C28 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C11 | N4 | sing | 1.47Å | 1.48Å | |
| C16 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C10 | sing | 1.40Å | 1.41Å | |
| N1 | C1 | sing | 1.39Å | 1.33Å | |
| C10 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | N3 | doub | 1.28Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.36Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | N7 | 111.7° | 109.5° |
| C23 | C22 | C21 | 123.4° | 120.0° |
| C23 | C22 | H38 | 118.3° | 120.0° |
| C22 | C23 | H23 | 108.9° | 109.5° |
| C22 | C23 | H24 | 108.9° | 109.4° |
| C23 | N7 | C24 | 113.1° | 111.0° |
| C23 | N7 | C29 | 111.5° | 111.0° |
| N7 | C23 | H23 | 108.9° | 109.5° |
| N7 | C23 | H24 | 108.9° | 109.5° |
| C22 | C21 | C20 | 124.9° | 120.0° |
| C22 | C21 | H21 | 117.6° | 119.9° |
| C21 | C22 | H38 | 118.3° | 120.0° |
| C21 | C20 | N6 | 117.0° | 119.7° |
| C21 | C20 | C30 | 120.8° | 119.7° |
| C20 | C21 | H21 | 117.5° | 120.1° |
| C24 | C25 | C26 | 114.7° | 112.3° |
| C25 | C24 | N7 | 115.6° | 112.0° |
| C25 | C24 | H25 | 107.9° | 109.0° |
| C25 | C24 | H26 | 107.9° | 108.9° |
| C24 | C25 | H27 | 108.2° | 108.9° |
| C24 | C25 | H28 | 108.1° | 108.9° |
| C25 | C26 | C27 | 114.5° | 113.1° |
| C26 | C25 | H27 | 108.1° | 109.0° |
| C26 | C25 | H28 | 108.2° | 108.9° |
| C25 | C26 | H29 | 108.2° | 108.8° |
| C25 | C26 | H30 | 108.2° | 108.8° |
| C20 | N6 | C19 | 118.1° | 121.8° |
| N6 | C20 | C30 | 122.2° | 120.6° |
| N6 | C19 | C18 | 122.9° | 121.0° |
| N6 | C19 | H20 | 118.5° | 119.5° |
| C20 | C30 | C17 | 119.4° | 119.0° |
| C20 | C30 | H37 | 120.3° | 120.5° |
| C24 | N7 | C29 | 114.8° | 109.5° |
| N7 | C24 | H25 | 107.9° | 109.0° |
| N7 | C24 | H26 | 107.9° | 109.0° |
| C19 | C18 | C17 | 119.3° | 119.3° |
| C19 | C18 | H19 | 120.3° | 120.3° |
| C18 | C19 | H20 | 118.5° | 119.5° |
| N7 | C29 | C28 | 115.2° | 112.9° |
| N7 | C29 | H35 | 108.0° | 108.8° |
| N7 | C29 | H36 | 108.0° | 108.8° |
| C26 | C27 | C28 | 115.5° | 108.8° |
| C27 | C26 | H29 | 108.2° | 108.8° |
| C27 | C26 | H30 | 108.2° | 108.7° |
| C26 | C27 | H31 | 107.9° | 109.6° |
| C26 | C27 | H32 | 107.9° | 109.5° |
| C30 | C17 | C18 | 118.0° | 118.3° |
| C30 | C17 | N5 | 120.3° | 120.8° |
| C17 | C30 | H37 | 120.3° | 120.5° |
| C18 | C17 | N5 | 121.7° | 120.9° |
| C17 | C18 | H19 | 120.3° | 120.3° |
| C17 | N5 | C12 | 127.3° | 111.0° |
| C17 | N5 | C15 | 126.9° | 111.0° |
| C29 | C28 | C27 | 115.8° | 111.6° |
| C29 | C28 | H34 | 107.9° | 109.1° |
| C29 | C28 | H33 | 107.9° | 109.0° |
| C28 | C29 | H35 | 108.0° | 108.8° |
| C28 | C29 | H36 | 108.1° | 108.8° |
| C12 | C13 | C14 | 105.2° | 104.7° |
| C13 | C12 | N5 | 101.8° | 104.0° |
| C13 | C12 | C11 | 112.0° | 107.6° |
| C13 | C12 | H11 | 111.4° | 113.0° |
| C12 | C13 | H13 | 110.5° | 110.4° |
| C12 | C13 | H12 | 110.5° | 110.4° |
| C13 | C14 | C15 | 104.4° | 104.7° |
| C14 | C13 | H13 | 110.5° | 110.4° |
| C14 | C13 | H12 | 110.6° | 110.4° |
| C13 | C14 | H14 | 110.7° | 110.4° |
| C13 | C14 | H15 | 110.7° | 110.5° |
| C12 | N5 | C15 | 105.8° | 103.0° |
| N5 | C12 | C11 | 107.3° | 107.0° |
| N5 | C12 | H11 | 112.4° | 112.5° |
| N5 | C15 | C14 | 100.6° | 104.0° |
| N5 | C15 | C16 | 107.3° | 107.0° |
| N5 | C15 | H16 | 112.0° | 112.4° |
| C12 | C11 | N4 | 112.1° | 109.0° |
| C12 | C11 | H9 | 108.8° | 109.6° |
| C12 | C11 | H10 | 108.8° | 109.6° |
| C11 | C12 | H11 | 111.5° | 112.3° |
| C28 | C27 | H31 | 107.9° | 109.6° |
| C28 | C27 | H32 | 108.0° | 109.6° |
| C27 | C28 | H34 | 107.9° | 109.1° |
| C27 | C28 | H33 | 107.9° | 109.1° |
| C14 | C15 | C16 | 114.3° | 107.6° |
| C15 | C14 | H14 | 110.7° | 110.3° |
| C15 | C14 | H15 | 110.7° | 110.4° |
| C14 | C15 | H16 | 111.0° | 112.4° |
| C15 | C16 | N4 | 113.4° | 108.9° |
| C16 | C15 | H16 | 111.1° | 112.9° |
| C15 | C16 | H18 | 108.5° | 109.5° |
| C15 | C16 | H17 | 108.5° | 109.6° |
| C11 | N4 | C16 | 119.0° | 111.7° |
| C11 | N4 | C10 | 121.1° | 111.0° |
| N4 | C11 | H9 | 108.8° | 109.5° |
| N4 | C11 | H10 | 108.8° | 109.5° |
| C16 | N4 | C10 | 119.9° | 111.0° |
| N4 | C16 | H18 | 108.5° | 109.6° |
| N4 | C16 | H17 | 108.5° | 109.6° |
| N4 | C10 | C1 | 120.9° | 121.1° |
| N4 | C10 | C9 | 121.3° | 121.1° |
| N1 | C1 | C10 | 122.5° | 120.1° |
| N1 | C1 | N2 | 116.7° | 120.1° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | C10 | C9 | 117.8° | 117.9° |
| C10 | C1 | N2 | 120.7° | 119.8° |
| C10 | C9 | C2 | 118.9° | 117.8° |
| C10 | C9 | H8 | 120.5° | 121.1° |
| C1 | N2 | N3 | 120.5° | 122.3° |
| C9 | C2 | N3 | 120.9° | 119.9° |
| C9 | C2 | C3 | 123.5° | 120.0° |
| C2 | C9 | H8 | 120.5° | 121.1° |
| N2 | N3 | C2 | 121.1° | 122.3° |
| N3 | C2 | C3 | 115.7° | 120.1° |
| C2 | C3 | C4 | 120.8° | 120.1° |
| C2 | C3 | C8 | 121.2° | 120.1° |
| C3 | C4 | C5 | 121.3° | 119.9° |
| C4 | C3 | C8 | 118.0° | 119.7° |
| C3 | C4 | H3 | 119.4° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.3° |
| C5 | C4 | H3 | 119.4° | 120.1° |
| C4 | C5 | H4 | 120.0° | 119.8° |
| C3 | C8 | O1 | 121.5° | 120.2° |
| C3 | C8 | C7 | 120.3° | 119.7° |
| C5 | C6 | C7 | 120.4° | 120.3° |
| C6 | C5 | H4 | 120.1° | 119.9° |
| C5 | C6 | H5 | 119.8° | 119.9° |
| O1 | C8 | C7 | 118.2° | 120.2° |
| C8 | O1 | H7 | 109.5° | 114.0° |
| C8 | C7 | C6 | 120.1° | 120.1° |
| C8 | C7 | H6 | 119.9° | 119.9° |
| C7 | C6 | H5 | 119.8° | 119.8° |
| C6 | C7 | H6 | 120.0° | 120.0° |
| H2 | N1 | H1 | 109.4° | 120.0° |
| H9 | C11 | H10 | 109.5° | 109.6° |
| H13 | C13 | H12 | 109.5° | 110.4° |
| H14 | C14 | H15 | 109.5° | 110.4° |
| H18 | C16 | H17 | 109.5° | 109.7° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 108.9° |
| H27 | C25 | H28 | 109.5° | 108.8° |
| H29 | C26 | H30 | 109.5° | 108.6° |
| H31 | C27 | H32 | 109.5° | 109.7° |
| H34 | C28 | H33 | 109.4° | 109.0° |
| H35 | C29 | H36 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | N7 | H23 | 120.4° | 120.1° |
| C22 | C23 | N7 | H24 | 120.3° | 119.9° |
| C23 | C22 | C21 | H38 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.0° | 180.0° |
| C22 | C23 | N7 | C24 | 170.2° | 68.0° |
| C22 | C23 | N7 | C29 | 58.6° | 170.0° |
| C23 | C22 | C21 | H21 | 1.0° | 0.0° |
| C22 | C23 | H23 | H24 | 118.9° | 120.0° |
| N7 | C23 | C22 | C21 | 133.9° | 125.0° |
| C23 | N7 | C24 | C25 | 70.4° | 140.7° |
| C23 | N7 | C24 | C29 | 129.5° | 122.9° |
| C23 | N7 | C29 | C28 | 161.2° | 153.8° |
| N7 | C23 | C22 | H38 | 46.0° | 55.0° |
| N7 | C23 | H23 | H24 | 119.0° | 120.0° |
| C23 | N7 | C24 | H25 | 50.5° | 20.0° |
| C23 | N7 | C24 | H26 | 168.7° | 98.7° |
| C23 | N7 | C29 | H35 | 40.4° | 85.3° |
| C23 | N7 | C29 | H36 | 77.9° | 33.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | N6 | 56.3° | 0.0° |
| C22 | C21 | C20 | C30 | 123.5° | 180.0° |
| C21 | C22 | C23 | H23 | 105.7° | 5.0° |
| C21 | C22 | C23 | H24 | 13.6° | 115.0° |
| C21 | C20 | N6 | C30 | 179.8° | 180.0° |
| C21 | C20 | N6 | C19 | 179.9° | 180.0° |
| C21 | C20 | C30 | C17 | 180.0° | 180.0° |
| C20 | C21 | C22 | H38 | 1.0° | 0.0° |
| C21 | C20 | C30 | H37 | 0.0° | 0.0° |
| C24 | C25 | C26 | H27 | 120.8° | 120.8° |
| C24 | C25 | C26 | H28 | 120.7° | 120.7° |
| C25 | C24 | N7 | H25 | 120.9° | 120.7° |
| C25 | C24 | N7 | H26 | 120.9° | 120.6° |
| C25 | C24 | N7 | C29 | 59.1° | 96.4° |
| C24 | C25 | C26 | C27 | 30.6° | 41.7° |
| C25 | C24 | H25 | H26 | 117.2° | 118.7° |
| C24 | C25 | H27 | H28 | 117.6° | 118.5° |
| C24 | C25 | C26 | H29 | 151.3° | 79.3° |
| C24 | C25 | C26 | H30 | 90.1° | 162.6° |
| C26 | C25 | C24 | N7 | 58.9° | 41.1° |
| C25 | C26 | C27 | H29 | 120.7° | 121.0° |
| C25 | C26 | C27 | H30 | 120.7° | 121.0° |
| C25 | C26 | C27 | C28 | 67.5° | 92.2° |
| C26 | C25 | C24 | H25 | 179.8° | 161.8° |
| C26 | C25 | C24 | H26 | 61.9° | 79.5° |
| C26 | C25 | H27 | H28 | 117.6° | 118.7° |
| C25 | C26 | H29 | H30 | 117.7° | 118.3° |
| C25 | C26 | C27 | H31 | 53.4° | 148.0° |
| C25 | C26 | C27 | H32 | 171.6° | 27.6° |
| C20 | N6 | C19 | C18 | 0.3° | 0.0° |
| N6 | C20 | C30 | C17 | 0.1° | 0.0° |
| C20 | N6 | C19 | H20 | 179.7° | 180.0° |
| N6 | C20 | C21 | H21 | 123.7° | 180.0° |
| N6 | C20 | C30 | H37 | 179.9° | 180.0° |
| C19 | N6 | C20 | C30 | 0.1° | 0.0° |
| N6 | C19 | C18 | H20 | 180.0° | 180.0° |
| N6 | C19 | C18 | C17 | 0.6° | 0.0° |
| N6 | C19 | C18 | H19 | 179.4° | 180.0° |
| C20 | C30 | C17 | H37 | 180.0° | 180.0° |
| C20 | C30 | C17 | C18 | 0.4° | 0.0° |
| C20 | C30 | C17 | N5 | 179.4° | 180.0° |
| C30 | C20 | C21 | H21 | 56.5° | 0.0° |
| C24 | N7 | C29 | C28 | 30.9° | 83.3° |
| C24 | N7 | C23 | H23 | 49.9° | 172.0° |
| C24 | N7 | C23 | H24 | 69.4° | 52.0° |
| N7 | C24 | H25 | H26 | 117.2° | 118.8° |
| N7 | C24 | C25 | H27 | 179.7° | 79.7° |
| N7 | C24 | C25 | H28 | 61.8° | 161.8° |
| C24 | N7 | C29 | H35 | 89.9° | 37.6° |
| C24 | N7 | C29 | H36 | 151.8° | 155.9° |
| C19 | C18 | C17 | C30 | 0.6° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | N5 | 179.6° | 180.0° |
| N7 | C29 | C28 | H35 | 120.8° | 120.9° |
| N7 | C29 | C28 | H36 | 120.8° | 120.8° |
| N7 | C29 | C28 | C27 | 71.5° | 61.4° |
| C29 | N7 | C23 | H23 | 179.0° | 50.0° |
| C29 | N7 | C23 | H24 | 61.7° | 70.0° |
| C29 | N7 | C24 | H25 | 180.0° | 142.9° |
| C29 | N7 | C24 | H26 | 61.8° | 24.1° |
| N7 | C29 | C28 | H34 | 167.6° | 59.2° |
| N7 | C29 | C28 | H33 | 49.4° | 178.2° |
| N7 | C29 | H35 | H36 | 117.4° | 118.4° |
| C26 | C27 | C28 | C29 | 1.2° | 77.2° |
| C26 | C27 | C28 | H31 | 120.9° | 119.8° |
| C26 | C27 | C28 | H32 | 120.9° | 119.8° |
| C27 | C26 | C25 | H27 | 90.2° | 162.4° |
| C27 | C26 | C25 | H28 | 151.4° | 79.0° |
| C27 | C26 | H29 | H30 | 117.7° | 118.2° |
| C26 | C27 | H31 | H32 | 117.2° | 120.3° |
| C26 | C27 | C28 | H34 | 122.2° | 43.4° |
| C26 | C27 | C28 | H33 | 119.7° | 162.4° |
| C30 | C17 | C18 | N5 | 179.0° | 179.9° |
| C30 | C17 | N5 | C12 | 22.5° | 179.9° |
| C30 | C17 | N5 | C15 | 155.2° | 66.2° |
| C30 | C17 | C18 | H19 | 179.4° | 180.0° |
| C18 | C17 | N5 | C12 | 158.6° | 0.0° |
| C18 | C17 | N5 | C15 | 23.7° | 113.9° |
| C17 | C18 | C19 | H20 | 179.4° | 180.0° |
| C18 | C17 | C30 | H37 | 179.6° | 180.0° |
| C17 | N5 | C12 | C13 | 138.2° | 76.1° |
| C17 | N5 | C12 | C15 | 178.1° | 118.9° |
| C17 | N5 | C12 | C11 | 104.0° | 170.2° |
| C17 | N5 | C15 | C14 | 134.4° | 76.0° |
| C17 | N5 | C15 | C16 | 105.9° | 170.3° |
| C17 | N5 | C12 | H11 | 19.0° | 46.5° |
| C17 | N5 | C15 | H16 | 16.3° | 45.8° |
| N5 | C17 | C18 | H19 | 0.4° | 0.1° |
| N5 | C17 | C30 | H37 | 0.6° | 0.0° |
| C29 | C28 | C27 | H34 | 120.9° | 120.6° |
| C29 | C28 | C27 | H33 | 120.9° | 120.4° |
| C29 | C28 | C27 | H31 | 122.1° | 163.0° |
| C29 | C28 | C27 | H32 | 119.7° | 42.5° |
| C29 | C28 | H34 | H33 | 117.1° | 118.9° |
| C28 | C29 | H35 | H36 | 117.4° | 118.3° |
| C12 | C13 | C14 | H13 | 119.3° | 118.8° |
| C12 | C13 | C14 | H12 | 119.3° | 118.8° |
| C13 | C12 | N5 | C11 | 117.8° | 113.7° |
| C13 | C12 | N5 | H11 | 119.3° | 122.5° |
| C13 | C12 | N5 | C15 | 43.7° | 42.8° |
| C13 | C12 | C11 | H11 | 125.6° | 124.9° |
| C12 | C13 | C14 | C15 | 6.1° | 0.0° |
| C13 | C12 | C11 | N4 | 59.5° | 47.6° |
| C13 | C12 | C11 | H9 | 179.9° | 72.2° |
| C13 | C12 | C11 | H10 | 60.9° | 167.5° |
| C12 | C13 | H13 | H12 | 122.0° | 122.4° |
| C12 | C13 | C14 | H14 | 125.3° | 118.8° |
| C12 | C13 | C14 | H15 | 113.0° | 118.8° |
| C14 | C13 | C12 | N5 | 21.5° | 25.9° |
| C13 | C14 | C15 | N5 | 31.4° | 26.0° |
| C14 | C13 | C12 | C11 | 92.8° | 87.3° |
| C13 | C14 | C15 | H14 | 119.2° | 118.8° |
| C13 | C14 | C15 | H15 | 119.2° | 118.9° |
| C13 | C14 | C15 | C16 | 83.2° | 87.3° |
| C14 | C13 | C12 | H11 | 141.5° | 148.1° |
| C14 | C13 | H13 | H12 | 122.0° | 122.3° |
| C13 | C14 | H14 | H15 | 122.4° | 122.4° |
| C13 | C14 | C15 | H16 | 150.1° | 147.8° |
| N5 | C12 | C11 | H11 | 123.5° | 123.8° |
| C12 | N5 | C15 | C14 | 47.5° | 42.8° |
| C12 | N5 | C15 | C16 | 72.2° | 70.9° |
| N5 | C12 | C11 | N4 | 51.5° | 63.6° |
| N5 | C12 | C11 | H9 | 68.9° | 176.6° |
| N5 | C12 | C11 | H10 | 171.9° | 56.3° |
| N5 | C12 | C13 | H13 | 140.8° | 144.8° |
| N5 | C12 | C13 | H12 | 97.8° | 92.9° |
| C12 | N5 | C15 | H16 | 165.6° | 164.7° |
| C15 | N5 | C12 | C11 | 74.2° | 70.9° |
| N5 | C15 | C14 | C16 | 114.6° | 113.3° |
| N5 | C15 | C14 | H16 | 118.8° | 121.9° |
| N5 | C15 | C16 | H16 | 122.8° | 124.2° |
| N5 | C15 | C16 | N4 | 48.7° | 63.6° |
| C15 | N5 | C12 | H11 | 162.9° | 165.4° |
| N5 | C15 | C14 | H14 | 150.6° | 144.8° |
| N5 | C15 | C14 | H15 | 87.8° | 92.9° |
| N5 | C15 | C16 | H18 | 169.3° | 56.2° |
| N5 | C15 | C16 | H17 | 71.9° | 176.6° |
| C12 | C11 | N4 | H9 | 120.4° | 119.9° |
| C12 | C11 | N4 | H10 | 120.4° | 119.9° |
| C12 | C11 | N4 | C16 | 30.6° | 55.3° |
| C12 | C11 | N4 | C10 | 151.8° | 179.8° |
| C12 | C11 | H9 | H10 | 118.8° | 120.3° |
| C11 | C12 | C13 | H13 | 26.5° | 31.5° |
| C11 | C12 | C13 | H12 | 147.8° | 153.9° |
| C28 | C27 | C26 | H29 | 171.8° | 28.8° |
| C28 | C27 | C26 | H30 | 53.2° | 146.9° |
| C28 | C27 | H31 | H32 | 117.3° | 120.4° |
| C27 | C28 | H34 | H33 | 117.1° | 119.0° |
| C27 | C28 | C29 | H35 | 49.3° | 59.5° |
| C27 | C28 | C29 | H36 | 167.7° | 177.8° |
| C14 | C15 | C16 | H16 | 126.6° | 124.6° |
| C14 | C15 | C16 | N4 | 61.9° | 47.7° |
| C15 | C14 | C13 | H13 | 113.2° | 118.8° |
| C15 | C14 | C13 | H12 | 125.4° | 118.8° |
| C15 | C14 | H14 | H15 | 122.3° | 122.3° |
| C14 | C15 | C16 | H18 | 58.7° | 167.5° |
| C14 | C15 | C16 | H17 | 177.5° | 72.2° |
| C15 | C16 | N4 | C11 | 29.4° | 55.3° |
| C15 | C16 | N4 | H18 | 120.6° | 119.7° |
| C15 | C16 | N4 | H17 | 120.6° | 119.8° |
| C15 | C16 | N4 | C10 | 152.9° | 179.8° |
| C16 | C15 | C14 | H14 | 36.0° | 31.5° |
| C16 | C15 | C14 | H15 | 157.6° | 153.8° |
| C15 | C16 | H18 | H17 | 118.2° | 120.3° |
| C11 | N4 | C16 | C10 | 177.7° | 124.4° |
| C11 | N4 | C10 | C1 | 96.9° | 120.0° |
| C11 | N4 | C10 | C9 | 83.3° | 60.0° |
| N4 | C11 | H9 | H10 | 118.8° | 120.2° |
| N4 | C11 | C12 | H11 | 174.9° | 172.6° |
| C11 | N4 | C16 | H18 | 150.0° | 64.4° |
| C11 | N4 | C16 | H17 | 91.2° | 175.1° |
| C16 | N4 | C10 | C1 | 85.5° | 115.2° |
| C16 | N4 | C10 | C9 | 94.3° | 64.9° |
| C16 | N4 | C11 | H9 | 89.8° | 175.2° |
| C16 | N4 | C11 | H10 | 151.0° | 64.6° |
| N4 | C16 | C15 | H16 | 171.5° | 172.3° |
| N4 | C16 | H18 | H17 | 118.2° | 120.3° |
| N4 | C10 | C1 | N1 | 0.2° | 0.3° |
| N4 | C10 | C1 | C9 | 179.8° | 180.0° |
| N4 | C10 | C1 | N2 | 179.9° | 179.9° |
| N4 | C10 | C9 | C2 | 179.9° | 179.5° |
| N4 | C10 | C9 | H8 | 0.1° | 0.2° |
| C10 | N4 | C11 | H9 | 87.8° | 60.4° |
| C10 | N4 | C11 | H10 | 31.4° | 59.8° |
| C10 | N4 | C16 | H18 | 32.3° | 60.0° |
| C10 | N4 | C16 | H17 | 86.5° | 60.4° |
| N1 | C1 | C10 | N2 | 179.8° | 179.8° |
| N1 | C1 | C10 | C9 | 179.9° | 179.7° |
| N1 | C1 | N2 | N3 | 179.9° | 180.0° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| C1 | C10 | C9 | C2 | 0.1° | 0.5° |
| C10 | C1 | N2 | N3 | 0.1° | 0.2° |
| C10 | C1 | N1 | H2 | 179.9° | 179.7° |
| C10 | C1 | N1 | H1 | 59.8° | 0.2° |
| C1 | C10 | C9 | H8 | 179.9° | 179.8° |
| C9 | C10 | C1 | N2 | 0.1° | 0.1° |
| C10 | C9 | C2 | H8 | 180.0° | 179.3° |
| C10 | C9 | C2 | N3 | 0.0° | 0.7° |
| C10 | C9 | C2 | C3 | 179.9° | 179.7° |
| C1 | N2 | N3 | C2 | 0.0° | 0.0° |
| N2 | C1 | N1 | H2 | 0.0° | 0.1° |
| N2 | C1 | N1 | H1 | 120.0° | 180.0° |
| C9 | C2 | N3 | N2 | 0.1° | 0.5° |
| C9 | C2 | N3 | C3 | 179.9° | 179.5° |
| C9 | C2 | C3 | C4 | 12.4° | 0.8° |
| C9 | C2 | C3 | C8 | 167.8° | 179.5° |
| N2 | N3 | C2 | C3 | 180.0° | 179.9° |
| N3 | C2 | C3 | C4 | 167.5° | 179.7° |
| N3 | C2 | C3 | C8 | 12.3° | 0.0° |
| N3 | C2 | C9 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | C8 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C8 | O1 | 0.2° | 0.0° |
| C2 | C3 | C8 | C7 | 179.9° | 179.7° |
| C2 | C3 | C4 | H3 | 0.1° | 0.1° |
| C3 | C2 | C9 | H8 | 0.1° | 0.5° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C8 | O1 | 180.0° | 179.7° |
| C4 | C3 | C8 | C7 | 0.1° | 0.6° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | C8 | 0.2° | 0.3° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C3 | C8 | O1 | C7 | 180.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.6° |
| C3 | C8 | O1 | H7 | 180.0° | 90.0° |
| C8 | C3 | C4 | H3 | 179.8° | 179.8° |
| C3 | C8 | C7 | H6 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 0.2° | 0.3° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 179.8° | 180.0° |
| O1 | C8 | C7 | C6 | 179.9° | 179.7° |
| O1 | C8 | C7 | H6 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C8 | O1 | H7 | 0.0° | 89.7° |
| C8 | C7 | C6 | H5 | 179.8° | 179.7° |
| C7 | C6 | C5 | H4 | 179.9° | 180.0° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| H4 | C5 | C6 | H5 | 0.1° | 0.0° |
| H5 | C6 | C7 | H6 | 0.2° | 0.0° |
| H9 | C11 | C12 | H11 | 54.5° | 52.7° |
| H10 | C11 | C12 | H11 | 64.7° | 67.6° |
| H11 | C12 | C13 | H13 | 99.2° | 93.0° |
| H11 | C12 | C13 | H12 | 22.2° | 29.4° |
| H13 | C13 | C14 | H14 | 6.0° | 0.0° |
| H13 | C13 | C14 | H15 | 127.6° | 122.4° |
| H12 | C13 | C14 | H14 | 115.4° | 122.4° |
| H12 | C13 | C14 | H15 | 6.3° | 0.0° |
| H14 | C14 | C15 | H16 | 90.6° | 93.4° |
| H15 | C14 | C15 | H16 | 30.9° | 29.0° |
| H16 | C15 | C16 | H18 | 67.9° | 67.9° |
| H16 | C15 | C16 | H17 | 50.9° | 52.4° |
| H19 | C18 | C19 | H20 | 0.6° | 0.0° |
| H21 | C21 | C22 | H38 | 179.1° | 180.0° |
| H38 | C22 | C23 | H23 | 74.3° | 175.0° |
| H38 | C22 | C23 | H24 | 166.4° | 65.0° |
| H25 | C24 | C25 | H27 | 59.4° | 41.0° |
| H25 | C24 | C25 | H28 | 59.1° | 77.5° |
| H26 | C24 | C25 | H27 | 58.8° | 159.7° |
| H26 | C24 | C25 | H28 | 177.3° | 41.2° |
| H27 | C25 | C26 | H29 | 30.5° | 41.5° |
| H27 | C25 | C26 | H30 | 149.1° | 76.6° |
| H28 | C25 | C26 | H29 | 87.9° | 160.1° |
| H28 | C25 | C26 | H30 | 30.6° | 41.9° |
| H29 | C26 | C27 | H31 | 67.3° | 91.0° |
| H29 | C26 | C27 | H32 | 50.9° | 148.6° |
| H30 | C26 | C27 | H31 | 174.1° | 27.1° |
| H30 | C26 | C27 | H32 | 67.7° | 93.3° |
| H31 | C27 | C28 | H34 | 117.0° | 76.4° |
| H31 | C27 | C28 | H33 | 1.2° | 42.6° |
| H32 | C27 | C28 | H34 | 1.3° | 163.1° |
| H32 | C27 | C28 | H33 | 119.4° | 77.9° |
| H34 | C28 | C29 | H35 | 71.6° | 179.9° |
| H34 | C28 | C29 | H36 | 46.8° | 61.6° |
| H33 | C28 | C29 | H35 | 170.3° | 61.0° |
| H33 | C28 | C29 | H36 | 71.4° | 57.3° |
